N-methyl-N'-[3-[6-[3-(methylamino)propylamino]hexylamino]propyl]hexane-1,6-diamine

C20H47N5 — CID 165341427

IUPACN-methyl-N'-[3-[6-[3-(methylamino)propylamino]hexylamino]propyl]hexane-1,6-diamine
SMILESCNCCCCCCNCCCNCCCCCCNCCCNC
InChIInChI=1S/C20H47N5/c1-21-13-7-3-4-8-16-24-19-12-20-25-17-10-6-5-9-15-23-18-11-14-22-2/h21-25H,3-20H2,1-2H3
InChIKeyUFCOUHFBODHNKT-UHFFFAOYSA-N
MW357.63 g/mol
LogP2.10
Rot. Bonds22

About N-methyl-N'-[3-[6-[3-(methylamino)propylamino]hexylamino]propyl]hexane-1,6-diamine

N-methyl-N'-[3-[6-[3-(methylamino)propylamino]hexylamino]propyl]hexane-1,6-diamine (PubChem CID 165341427) has the molecular formula C20H47N5 and a molecular weight of 357.63 g/mol. Its IUPAC name is N-methyl-N'-[3-[6-[3-(methylamino)propylamino]hexylamino]propyl]hexane-1,6-diamine.

Molecular Properties

Compound NameN-methyl-N'-[3-[6-[3-(methylamino)propylamino]hexylamino]propyl]hexane-1,6-diamine
PubChem CID165341427
Molecular FormulaC20H47N5
Molecular Weight357.63 g/mol
Exact Mass357.38
IUPAC NameN-methyl-N'-[3-[6-[3-(methylamino)propylamino]hexylamino]propyl]hexane-1,6-diamine
SMILESCNCCCCCCNCCCNCCCCCCNCCCNC
InChIInChI=1S/C20H47N5/c1-21-13-7-3-4-8-16-24-19-12-20-25-17-10-6-5-9-15-23-18-11-14-22-2/h21-25H,3-20H2,1-2H3
InChIKeyUFCOUHFBODHNKT-UHFFFAOYSA-N
XLogP2.10
TPSA60.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds22
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.63
LogP ≤ 52.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(ethylamino)propyl]-N-[3-(methylamino)propyl]heptane-1,7-diamine
CID 19698839
N'-dodecyl-N-methylpropane-1,3-diamine
CID 19812622
N'-hexadecyl-N-methylpropane-1,3-diamine
CID 46736042
6-[3-[6-[3-(methylamino)propylamino]hexylamino]propylamino]hexan-1-ol
CID 53441021
N,N'-dimethylhexane-1,6-diamine;hydrochloride
CID 154634683
N'-[3-[3-[3-(methylamino)propylamino]propylamino]propyl]propane-1,3-diamine
CID 20647748
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
N'-[6-(dimethylamino)hexyl]-N-methylhexane-1,6-diamine
CID 57013062
N,N'-dimethylpropane-1,3-diamine;N-ethylpentan-1-amine;N-methylbutan-1-amine;N-methylhexan-1-amine
CID 165044270
N,N'-dimethylheptane-1,7-diamine;ethane;molecular hydrogen
CID 176578398
N-methyltriacontan-1-amine
CID 19840895
N-ethyl-N'-[4-[4-(ethylamino)butylamino]butyl]pentane-1,5-diamine;N-ethyl-N'-[4-[3-(ethylamino)propylamino]butyl]butane-1,4-diamine;N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]butane-1,4-diamine
CID 159678925

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[3-[6-[3-(methylamino)propylamino]hexylamino]propyl]hexane-1,6-diamine?
The IUPAC name of N-methyl-N'-[3-[6-[3-(methylamino)propylamino]hexylamino]propyl]hexane-1,6-diamine (CID 165341427) is N-methyl-N'-[3-[6-[3-(methylamino)propylamino]hexylamino]propyl]hexane-1,6-diamine.
What is the SMILES notation for N-methyl-N'-[3-[6-[3-(methylamino)propylamino]hexylamino]propyl]hexane-1,6-diamine?
The canonical SMILES for N-methyl-N'-[3-[6-[3-(methylamino)propylamino]hexylamino]propyl]hexane-1,6-diamine is CNCCCCCCNCCCNCCCCCCNCCCNC.
What is the InChIKey of N-methyl-N'-[3-[6-[3-(methylamino)propylamino]hexylamino]propyl]hexane-1,6-diamine?
The InChIKey is UFCOUHFBODHNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H47N5/c1-21-13-7-3-4-8-16-24-19-12-20-25-17-10-6-5-9-15-23-18-11-14-22-2/h21-25H,3-20H2,1-2H3.
What are the key properties of N-methyl-N'-[3-[6-[3-(methylamino)propylamino]hexylamino]propyl]hexane-1,6-diamine?
N-methyl-N'-[3-[6-[3-(methylamino)propylamino]hexylamino]propyl]hexane-1,6-diamine has a molecular weight of 357.63 g/mol, XLogP of 2.10, 22 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[3-[6-[3-(methylamino)propylamino]hexylamino]propyl]hexane-1,6-diamine is sourced from PubChem (CID 165341427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).