1-N-(aminomethyl)-6-methyl-5-methylideneheptane-1,4-diamine

C10H23N3 — CID 130439995

IUPAC1-N-(aminomethyl)-6-methyl-5-methylideneheptane-1,4-diamine
SMILESC=C(C(C)C)C(N)CCCNCN
InChIInChI=1S/C10H23N3/c1-8(2)9(3)10(12)5-4-6-13-7-11/h8,10,13H,3-7,11-12H2,1-2H3
InChIKeyLOGDBRIEBIMEMD-UHFFFAOYSA-N
MW185.31 g/mol
LogP0.81
Rot. Bonds7

About 1-N-(aminomethyl)-6-methyl-5-methylideneheptane-1,4-diamine

1-N-(aminomethyl)-6-methyl-5-methylideneheptane-1,4-diamine (PubChem CID 130439995) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-N-(aminomethyl)-6-methyl-5-methylideneheptane-1,4-diamine.

Molecular Properties

Compound Name1-N-(aminomethyl)-6-methyl-5-methylideneheptane-1,4-diamine
PubChem CID130439995
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name1-N-(aminomethyl)-6-methyl-5-methylideneheptane-1,4-diamine
SMILESC=C(C(C)C)C(N)CCCNCN
InChIInChI=1S/C10H23N3/c1-8(2)9(3)10(12)5-4-6-13-7-11/h8,10,13H,3-7,11-12H2,1-2H3
InChIKeyLOGDBRIEBIMEMD-UHFFFAOYSA-N
XLogP0.81
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

8-fluoro-N,2-dimethyl-3-methylideneoctan-4-amine
CID 134571051
N,2,5-trimethylhex-1-en-3-amine
CID 79189735
(3S)-N,2,5-trimethylhex-1-en-3-amine
CID 88572418
(3S)-N,2,5-trimethyl-4-methylidenehexan-3-amine
CID 89519261
1-N-(1-aminoethyl)-4-ethylhept-6-ene-1,5-diamine
CID 91034521
4,6-Dimethyl-3-methylidenepiperidin-2-amine
CID 91275554
N,2,6-trimethylhept-6-en-3-amine
CID 114474208
(3R)-2-cyclopropyl-N-methylpent-1-en-3-amine
CID 117945350
N,5-dimethyl-7-methylidenedecan-3-amine
CID 123137171
5-Methylidene-4-propan-2-yl-1,3-diazinane
CID 123147188
N',N'-dimethyl-N-(2-methyl-4-methylideneheptyl)methanediamine
CID 123198751
N',N'-diethyl-N-(5-methylidene-6-propan-2-ylpiperidin-2-yl)ethane-1,2-diamine
CID 123761400

Frequently Asked Questions

What is the IUPAC name of 1-N-(aminomethyl)-6-methyl-5-methylideneheptane-1,4-diamine?
The IUPAC name of 1-N-(aminomethyl)-6-methyl-5-methylideneheptane-1,4-diamine (CID 130439995) is 1-N-(aminomethyl)-6-methyl-5-methylideneheptane-1,4-diamine.
What is the SMILES notation for 1-N-(aminomethyl)-6-methyl-5-methylideneheptane-1,4-diamine?
The canonical SMILES for 1-N-(aminomethyl)-6-methyl-5-methylideneheptane-1,4-diamine is C=C(C(C)C)C(N)CCCNCN.
What is the InChIKey of 1-N-(aminomethyl)-6-methyl-5-methylideneheptane-1,4-diamine?
The InChIKey is LOGDBRIEBIMEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-8(2)9(3)10(12)5-4-6-13-7-11/h8,10,13H,3-7,11-12H2,1-2H3.
What are the key properties of 1-N-(aminomethyl)-6-methyl-5-methylideneheptane-1,4-diamine?
1-N-(aminomethyl)-6-methyl-5-methylideneheptane-1,4-diamine has a molecular weight of 185.31 g/mol, XLogP of 0.81, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(aminomethyl)-6-methyl-5-methylideneheptane-1,4-diamine is sourced from PubChem (CID 130439995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).