N'-hexyl-N-methylpentane-1,5-diamine;N-methyl-N'-nonylpropane-1,3-diamine;N-methyl-N'-pentylpropane-1,3-diamine;N-methylpropan-1-amine;N-methyl-N'-propylethane-1,2-diamine;N-methyl-N'-propylpentane-1,5-diamine

C53H129N11 — CID 158681878

IUPACN'-hexyl-N-methylpentane-1,5-diamine;N-methyl-N'-nonylpropane-1,3-diamine;N-methyl-N'-pentylpropane-1,3-diamine;N-methylpropan-1-amine;N-methyl-N'-propylethane-1,2-diamine;N-methyl-N'-propylpentane-1,5-diamine
SMILESCCCCCCCCCNCCCNC.CCCCCCNCCCCCNC.CCCCCNCCCNC.CCCNC.CCCNCCCCCNC.CCCNCCNC
InChIInChI=1S/C13H30N2.C12H28N2.2C9H22N2.C6H16N2.C4H11N/c1-3-4-5-6-7-8-9-12-15-13-10-11-14-2;1-3-4-5-8-11-14-12-9-6-7-10-13-2;1-3-7-11-9-6-4-5-8-10-2;1-3-4-5-8-11-9-6-7-10-2;1-3-4-8-6-5-7-2;1-3-4-5-2/h14-15H,3-13H2,1-2H3;13-14H,3-12H2,1-2H3;2*10-11H,3-9H2,1-2H3;7-8H,3-6H2,1-2H3;5H,3-4H2,1-2H3
InChIKeyIFFSCBYFMPYQQG-UHFFFAOYSA-N
MW920.69 g/mol
LogP9.05
Rot. Bonds46

About N'-hexyl-N-methylpentane-1,5-diamine;N-methyl-N'-nonylpropane-1,3-diamine;N-methyl-N'-pentylpropane-1,3-diamine;N-methylpropan-1-amine;N-methyl-N'-propylethane-1,2-diamine;N-methyl-N'-propylpentane-1,5-diamine

N'-hexyl-N-methylpentane-1,5-diamine;N-methyl-N'-nonylpropane-1,3-diamine;N-methyl-N'-pentylpropane-1,3-diamine;N-methylpropan-1-amine;N-methyl-N'-propylethane-1,2-diamine;N-methyl-N'-propylpentane-1,5-diamine (PubChem CID 158681878) has the molecular formula C53H129N11 and a molecular weight of 920.69 g/mol. Its IUPAC name is N'-hexyl-N-methylpentane-1,5-diamine;N-methyl-N'-nonylpropane-1,3-diamine;N-methyl-N'-pentylpropane-1,3-diamine;N-methylpropan-1-amine;N-methyl-N'-propylethane-1,2-diamine;N-methyl-N'-propylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-hexyl-N-methylpentane-1,5-diamine;N-methyl-N'-nonylpropane-1,3-diamine;N-methyl-N'-pentylpropane-1,3-diamine;N-methylpropan-1-amine;N-methyl-N'-propylethane-1,2-diamine;N-methyl-N'-propylpentane-1,5-diamine
PubChem CID158681878
Molecular FormulaC53H129N11
Molecular Weight920.69 g/mol
Exact Mass920.04
IUPAC NameN'-hexyl-N-methylpentane-1,5-diamine;N-methyl-N'-nonylpropane-1,3-diamine;N-methyl-N'-pentylpropane-1,3-diamine;N-methylpropan-1-amine;N-methyl-N'-propylethane-1,2-diamine;N-methyl-N'-propylpentane-1,5-diamine
SMILESCCCCCCCCCNCCCNC.CCCCCCNCCCCCNC.CCCCCNCCCNC.CCCNC.CCCNCCCCCNC.CCCNCCNC
InChIInChI=1S/C13H30N2.C12H28N2.2C9H22N2.C6H16N2.C4H11N/c1-3-4-5-6-7-8-9-12-15-13-10-11-14-2;1-3-4-5-8-11-14-12-9-6-7-10-13-2;1-3-7-11-9-6-4-5-8-10-2;1-3-4-5-8-11-9-6-7-10-2;1-3-4-8-6-5-7-2;1-3-4-5-2/h14-15H,3-13H2,1-2H3;13-14H,3-12H2,1-2H3;2*10-11H,3-9H2,1-2H3;7-8H,3-6H2,1-2H3;5H,3-4H2,1-2H3
InChIKeyIFFSCBYFMPYQQG-UHFFFAOYSA-N
XLogP9.05
TPSA132.33 Ų
H-Bond Donors11
H-Bond Acceptors11
Rotatable Bonds46
Heavy Atoms64
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500920.69
LogP ≤ 59.05
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-hexyl-N-methylpentane-1,5-diamine;N-methyl-N'-nonylpropane-1,3-diamine;N-methyl-N'-pentylpropane-1,3-diamine;N-methylpropan-1-amine;N-methyl-N'-propylethane-1,2-diamine;N-methyl-N'-propylpentane-1,5-diamine with MolForge

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Related Compounds

N'-dodecyl-N-methylpropane-1,3-diamine
CID 19812622
N'-hexadecyl-N-methylpropane-1,3-diamine
CID 46736042
N-propylhexadecan-1-amine
CID 18792182
N-propyloctadecan-1-amine;hydrofluoride
CID 88723062
N-propylhexadecan-1-amine;hydroiodide
CID 175532385
N-propyldodecan-1-amine;hydrate
CID 175137397
azane;N-propyltetradecan-1-amine
CID 18792183
N,N'-di(nonyl)ethane-1,2-diamine
CID 151189669
N-methyltriacontan-1-amine
CID 19840895
N-methyl-N'-[3-[6-[3-(methylamino)propylamino]hexylamino]propyl]hexane-1,6-diamine
CID 165341427
N,N'-dimethylpropane-1,3-diamine;N-ethylpentan-1-amine;N-methylbutan-1-amine;N-methylhexan-1-amine
CID 165044270
N-hexylhexan-1-amine;N-methylmethanamine
CID 157403903

Frequently Asked Questions

What is the IUPAC name of N'-hexyl-N-methylpentane-1,5-diamine;N-methyl-N'-nonylpropane-1,3-diamine;N-methyl-N'-pentylpropane-1,3-diamine;N-methylpropan-1-amine;N-methyl-N'-propylethane-1,2-diamine;N-methyl-N'-propylpentane-1,5-diamine?
The IUPAC name of N'-hexyl-N-methylpentane-1,5-diamine;N-methyl-N'-nonylpropane-1,3-diamine;N-methyl-N'-pentylpropane-1,3-diamine;N-methylpropan-1-amine;N-methyl-N'-propylethane-1,2-diamine;N-methyl-N'-propylpentane-1,5-diamine (CID 158681878) is N'-hexyl-N-methylpentane-1,5-diamine;N-methyl-N'-nonylpropane-1,3-diamine;N-methyl-N'-pentylpropane-1,3-diamine;N-methylpropan-1-amine;N-methyl-N'-propylethane-1,2-diamine;N-methyl-N'-propylpentane-1,5-diamine.
What is the SMILES notation for N'-hexyl-N-methylpentane-1,5-diamine;N-methyl-N'-nonylpropane-1,3-diamine;N-methyl-N'-pentylpropane-1,3-diamine;N-methylpropan-1-amine;N-methyl-N'-propylethane-1,2-diamine;N-methyl-N'-propylpentane-1,5-diamine?
The canonical SMILES for N'-hexyl-N-methylpentane-1,5-diamine;N-methyl-N'-nonylpropane-1,3-diamine;N-methyl-N'-pentylpropane-1,3-diamine;N-methylpropan-1-amine;N-methyl-N'-propylethane-1,2-diamine;N-methyl-N'-propylpentane-1,5-diamine is CCCCCCCCCNCCCNC.CCCCCCNCCCCCNC.CCCCCNCCCNC.CCCNC.CCCNCCCCCNC.CCCNCCNC.
What is the InChIKey of N'-hexyl-N-methylpentane-1,5-diamine;N-methyl-N'-nonylpropane-1,3-diamine;N-methyl-N'-pentylpropane-1,3-diamine;N-methylpropan-1-amine;N-methyl-N'-propylethane-1,2-diamine;N-methyl-N'-propylpentane-1,5-diamine?
The InChIKey is IFFSCBYFMPYQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2.C12H28N2.2C9H22N2.C6H16N2.C4H11N/c1-3-4-5-6-7-8-9-12-15-13-10-11-14-2;1-3-4-5-8-11-14-12-9-6-7-10-13-2;1-3-7-11-9-6-4-5-8-10-2;1-3-4-5-8-11-9-6-7-10-2;1-3-4-8-6-5-7-2;1-3-4-5-2/h14-15H,3-13H2,1-2H3;13-14H,3-12H2,1-2H3;2*10-11H,3-9H2,1-2H3;7-8H,3-6H2,1-2H3;5H,3-4H2,1-2H3.
What are the key properties of N'-hexyl-N-methylpentane-1,5-diamine;N-methyl-N'-nonylpropane-1,3-diamine;N-methyl-N'-pentylpropane-1,3-diamine;N-methylpropan-1-amine;N-methyl-N'-propylethane-1,2-diamine;N-methyl-N'-propylpentane-1,5-diamine?
N'-hexyl-N-methylpentane-1,5-diamine;N-methyl-N'-nonylpropane-1,3-diamine;N-methyl-N'-pentylpropane-1,3-diamine;N-methylpropan-1-amine;N-methyl-N'-propylethane-1,2-diamine;N-methyl-N'-propylpentane-1,5-diamine has a molecular weight of 920.69 g/mol, XLogP of 9.05, 46 rotatable bonds, 11 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hexyl-N-methylpentane-1,5-diamine;N-methyl-N'-nonylpropane-1,3-diamine;N-methyl-N'-pentylpropane-1,3-diamine;N-methylpropan-1-amine;N-methyl-N'-propylethane-1,2-diamine;N-methyl-N'-propylpentane-1,5-diamine is sourced from PubChem (CID 158681878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).