N,N'-dimethylpropane-1,3-diamine;N-ethylpentan-1-amine;N-methylbutan-1-amine;N-methylhexan-1-amine

C24H61N5 — CID 165044270

IUPACN,N'-dimethylpropane-1,3-diamine;N-ethylpentan-1-amine;N-methylbutan-1-amine;N-methylhexan-1-amine
SMILESCCCCCCNC.CCCCCNCC.CCCCNC.CNCCCNC
InChIInChI=1S/2C7H17N.C5H14N2.C5H13N/c1-3-4-5-6-7-8-2;1-3-5-6-7-8-4-2;1-6-4-3-5-7-2;1-3-4-5-6-2/h2*8H,3-7H2,1-2H3;6-7H,3-5H2,1-2H3;6H,3-5H2,1-2H3
InChIKeyOQDNRTCWWCZMFC-UHFFFAOYSA-N
MW419.79 g/mol
LogP4.39
Rot. Bonds17

About N,N'-dimethylpropane-1,3-diamine;N-ethylpentan-1-amine;N-methylbutan-1-amine;N-methylhexan-1-amine

N,N'-dimethylpropane-1,3-diamine;N-ethylpentan-1-amine;N-methylbutan-1-amine;N-methylhexan-1-amine (PubChem CID 165044270) has the molecular formula C24H61N5 and a molecular weight of 419.79 g/mol. Its IUPAC name is N,N'-dimethylpropane-1,3-diamine;N-ethylpentan-1-amine;N-methylbutan-1-amine;N-methylhexan-1-amine.

Molecular Properties

Compound NameN,N'-dimethylpropane-1,3-diamine;N-ethylpentan-1-amine;N-methylbutan-1-amine;N-methylhexan-1-amine
PubChem CID165044270
Molecular FormulaC24H61N5
Molecular Weight419.79 g/mol
Exact Mass419.49
IUPAC NameN,N'-dimethylpropane-1,3-diamine;N-ethylpentan-1-amine;N-methylbutan-1-amine;N-methylhexan-1-amine
SMILESCCCCCCNC.CCCCCNCC.CCCCNC.CNCCCNC
InChIInChI=1S/2C7H17N.C5H14N2.C5H13N/c1-3-4-5-6-7-8-2;1-3-5-6-7-8-4-2;1-6-4-3-5-7-2;1-3-4-5-6-2/h2*8H,3-7H2,1-2H3;6-7H,3-5H2,1-2H3;6H,3-5H2,1-2H3
InChIKeyOQDNRTCWWCZMFC-UHFFFAOYSA-N
XLogP4.39
TPSA60.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.79
LogP ≤ 54.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N,N'-dimethylpropane-1,3-diamine;N-ethylpentan-1-amine;N-methylbutan-1-amine;N-methylhexan-1-amine with MolForge

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Related Compounds

N'-dodecyl-N-methylpropane-1,3-diamine
CID 19812622
N'-[3-(ethylamino)propyl]-N-[3-(methylamino)propyl]heptane-1,7-diamine
CID 19698839
N'-hexadecyl-N-methylpropane-1,3-diamine
CID 46736042
N-ethyl-N'-hexadecylpropane-1,3-diamine
CID 46736046
N-ethyl-N'-octadecylpropane-1,3-diamine
CID 175605866
N-ethyltetradecan-1-amine;hydrochloride
CID 174740266
N'-butyl-N-ethylnonane-1,9-diamine
CID 138750457
ethane;N-ethylhexan-1-amine
CID 143229911
N-methyltriacontan-1-amine
CID 19840895
N-ethyloctan-1-amine;hydrate;hydrobromide
CID 174973287
N-ethyl-N'-hexylethane-1,2-diamine
CID 7171940
lithium;N-ethylhexan-1-amine;hydride
CID 174419930

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethylpropane-1,3-diamine;N-ethylpentan-1-amine;N-methylbutan-1-amine;N-methylhexan-1-amine?
The IUPAC name of N,N'-dimethylpropane-1,3-diamine;N-ethylpentan-1-amine;N-methylbutan-1-amine;N-methylhexan-1-amine (CID 165044270) is N,N'-dimethylpropane-1,3-diamine;N-ethylpentan-1-amine;N-methylbutan-1-amine;N-methylhexan-1-amine.
What is the SMILES notation for N,N'-dimethylpropane-1,3-diamine;N-ethylpentan-1-amine;N-methylbutan-1-amine;N-methylhexan-1-amine?
The canonical SMILES for N,N'-dimethylpropane-1,3-diamine;N-ethylpentan-1-amine;N-methylbutan-1-amine;N-methylhexan-1-amine is CCCCCCNC.CCCCCNCC.CCCCNC.CNCCCNC.
What is the InChIKey of N,N'-dimethylpropane-1,3-diamine;N-ethylpentan-1-amine;N-methylbutan-1-amine;N-methylhexan-1-amine?
The InChIKey is OQDNRTCWWCZMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H17N.C5H14N2.C5H13N/c1-3-4-5-6-7-8-2;1-3-5-6-7-8-4-2;1-6-4-3-5-7-2;1-3-4-5-6-2/h2*8H,3-7H2,1-2H3;6-7H,3-5H2,1-2H3;6H,3-5H2,1-2H3.
What are the key properties of N,N'-dimethylpropane-1,3-diamine;N-ethylpentan-1-amine;N-methylbutan-1-amine;N-methylhexan-1-amine?
N,N'-dimethylpropane-1,3-diamine;N-ethylpentan-1-amine;N-methylbutan-1-amine;N-methylhexan-1-amine has a molecular weight of 419.79 g/mol, XLogP of 4.39, 17 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethylpropane-1,3-diamine;N-ethylpentan-1-amine;N-methylbutan-1-amine;N-methylhexan-1-amine is sourced from PubChem (CID 165044270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).