1-N-methylhept-6-ene-1,6-diamine

C8H18N2 — CID 142387852

IUPAC1-N-methylhept-6-ene-1,6-diamine
SMILESC=C(N)CCCCCNC
InChIInChI=1S/C8H18N2/c1-8(9)6-4-3-5-7-10-2/h10H,1,3-7,9H2,2H3
InChIKeyRYOFYTNWDMDIAK-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.24
Rot. Bonds6

About 1-N-methylhept-6-ene-1,6-diamine

1-N-methylhept-6-ene-1,6-diamine (PubChem CID 142387852) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 1-N-methylhept-6-ene-1,6-diamine.

Molecular Properties

Compound Name1-N-methylhept-6-ene-1,6-diamine
PubChem CID142387852
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name1-N-methylhept-6-ene-1,6-diamine
SMILESC=C(N)CCCCCNC
InChIInChI=1S/C8H18N2/c1-8(9)6-4-3-5-7-10-2/h10H,1,3-7,9H2,2H3
InChIKeyRYOFYTNWDMDIAK-UHFFFAOYSA-N
XLogP1.24
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

12-methoxy-N-methyltridec-12-en-1-amine
CID 145295234
7-(methylamino)-2-methylideneheptanoic acid
CID 118649610
N,N'-dimethylhexane-1,6-diamine;hydrochloride
CID 154634683
dodec-11-ene-1,11-diamine
CID 88786698
13-(methylamino)tridecan-2-one
CID 23382037
6-(methylamino)hexanoic acid
CID 4989372
methyl 18-aminononadec-18-enoate
CID 178062071
hydroxylamine;N-methyloctan-1-amine
CID 144676839
N-methyl-11-(methylamino)undecanamide
CID 59809097
ethane;7-(methylamino)heptan-2-one
CID 176694896
5-(methylamino)pentanoic acid
CID 91583432
ethyl 6-(methylamino)hexanoate;hydrochloride
CID 87871170

Frequently Asked Questions

What is the IUPAC name of 1-N-methylhept-6-ene-1,6-diamine?
The IUPAC name of 1-N-methylhept-6-ene-1,6-diamine (CID 142387852) is 1-N-methylhept-6-ene-1,6-diamine.
What is the SMILES notation for 1-N-methylhept-6-ene-1,6-diamine?
The canonical SMILES for 1-N-methylhept-6-ene-1,6-diamine is C=C(N)CCCCCNC.
What is the InChIKey of 1-N-methylhept-6-ene-1,6-diamine?
The InChIKey is RYOFYTNWDMDIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-8(9)6-4-3-5-7-10-2/h10H,1,3-7,9H2,2H3.
What are the key properties of 1-N-methylhept-6-ene-1,6-diamine?
1-N-methylhept-6-ene-1,6-diamine has a molecular weight of 142.25 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methylhept-6-ene-1,6-diamine is sourced from PubChem (CID 142387852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).