1-N,1-N,5-N-trimethylhept-6-ene-1,5,6-triamine

C10H23N3 — CID 166898967

IUPAC1-N,1-N,5-N-trimethylhept-6-ene-1,5,6-triamine
SMILESC=C(N)C(CCCCN(C)C)NC
InChIInChI=1S/C10H23N3/c1-9(11)10(12-2)7-5-6-8-13(3)4/h10,12H,1,5-8,11H2,2-4H3
InChIKeyIKODJGZEXDLOIT-UHFFFAOYSA-N
MW185.31 g/mol
LogP0.78
Rot. Bonds7

About 1-N,1-N,5-N-trimethylhept-6-ene-1,5,6-triamine

1-N,1-N,5-N-trimethylhept-6-ene-1,5,6-triamine (PubChem CID 166898967) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-N,1-N,5-N-trimethylhept-6-ene-1,5,6-triamine.

Molecular Properties

Compound Name1-N,1-N,5-N-trimethylhept-6-ene-1,5,6-triamine
PubChem CID166898967
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name1-N,1-N,5-N-trimethylhept-6-ene-1,5,6-triamine
SMILESC=C(N)C(CCCCN(C)C)NC
InChIInChI=1S/C10H23N3/c1-9(11)10(12-2)7-5-6-8-13(3)4/h10,12H,1,5-8,11H2,2-4H3
InChIKeyIKODJGZEXDLOIT-UHFFFAOYSA-N
XLogP0.78
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N,N,20-trimethylhenicosan-1-amine;hydrochloride
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5-(dimethylamino)-N,2-dimethylpentanamide
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2-[6-[butyl(propyl)amino]-5-(methylamino)hept-6-enyl]guanidine
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4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanamide
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(3S)-7-(diethylamino)-3-(methylamino)heptan-2-one
CID 170287078
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2-[2-(dimethylamino)ethylamino]nonanamide
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CID 23169563

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,5-N-trimethylhept-6-ene-1,5,6-triamine?
The IUPAC name of 1-N,1-N,5-N-trimethylhept-6-ene-1,5,6-triamine (CID 166898967) is 1-N,1-N,5-N-trimethylhept-6-ene-1,5,6-triamine.
What is the SMILES notation for 1-N,1-N,5-N-trimethylhept-6-ene-1,5,6-triamine?
The canonical SMILES for 1-N,1-N,5-N-trimethylhept-6-ene-1,5,6-triamine is C=C(N)C(CCCCN(C)C)NC.
What is the InChIKey of 1-N,1-N,5-N-trimethylhept-6-ene-1,5,6-triamine?
The InChIKey is IKODJGZEXDLOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-9(11)10(12-2)7-5-6-8-13(3)4/h10,12H,1,5-8,11H2,2-4H3.
What are the key properties of 1-N,1-N,5-N-trimethylhept-6-ene-1,5,6-triamine?
1-N,1-N,5-N-trimethylhept-6-ene-1,5,6-triamine has a molecular weight of 185.31 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,5-N-trimethylhept-6-ene-1,5,6-triamine is sourced from PubChem (CID 166898967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).