6-(4-methylpentan-2-ylideneamino)-N-[6-(4-methylpentan-2-ylideneamino)hexyl]hexan-1-amine

C24H49N3 — CID 18660000

IUPAC6-(4-methylpentan-2-ylideneamino)-N-[6-(4-methylpentan-2-ylideneamino)hexyl]hexan-1-amine
SMILESC/C(CC(C)C)=N\CCCCCCNCCCCCC/N=C(\C)CC(C)C
InChIInChI=1S/C24H49N3/c1-21(2)19-23(5)26-17-13-9-7-11-15-25-16-12-8-10-14-18-27-24(6)20-22(3)4/h21-22,25H,7-20H2,1-6H3/b26-23+,27-24+
InChIKeyZGMQJOYUICXLDZ-LSBUKLHESA-N
MW379.68 g/mol
LogP6.71
Rot. Bonds18

About 6-(4-methylpentan-2-ylideneamino)-N-[6-(4-methylpentan-2-ylideneamino)hexyl]hexan-1-amine

6-(4-methylpentan-2-ylideneamino)-N-[6-(4-methylpentan-2-ylideneamino)hexyl]hexan-1-amine (PubChem CID 18660000) has the molecular formula C24H49N3 and a molecular weight of 379.68 g/mol. Its IUPAC name is 6-(4-methylpentan-2-ylideneamino)-N-[6-(4-methylpentan-2-ylideneamino)hexyl]hexan-1-amine.

Molecular Properties

Compound Name6-(4-methylpentan-2-ylideneamino)-N-[6-(4-methylpentan-2-ylideneamino)hexyl]hexan-1-amine
PubChem CID18660000
Molecular FormulaC24H49N3
Molecular Weight379.68 g/mol
Exact Mass379.39
IUPAC Name6-(4-methylpentan-2-ylideneamino)-N-[6-(4-methylpentan-2-ylideneamino)hexyl]hexan-1-amine
SMILESC/C(CC(C)C)=N\CCCCCCNCCCCCC/N=C(\C)CC(C)C
InChIInChI=1S/C24H49N3/c1-21(2)19-23(5)26-17-13-9-7-11-15-25-16-12-8-10-14-18-27-24(6)20-22(3)4/h21-22,25H,7-20H2,1-6H3/b26-23+,27-24+
InChIKeyZGMQJOYUICXLDZ-LSBUKLHESA-N
XLogP6.71
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.68
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-(4-methylpentan-2-ylideneamino)-N-[6-(4-methylpentan-2-ylideneamino)hexyl]hexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpentan-2-ylideneamino)-N-[6-(4-methylpentan-2-ylideneamino)hexyl]hexan-1-amine?
The IUPAC name of 6-(4-methylpentan-2-ylideneamino)-N-[6-(4-methylpentan-2-ylideneamino)hexyl]hexan-1-amine (CID 18660000) is 6-(4-methylpentan-2-ylideneamino)-N-[6-(4-methylpentan-2-ylideneamino)hexyl]hexan-1-amine.
What is the SMILES notation for 6-(4-methylpentan-2-ylideneamino)-N-[6-(4-methylpentan-2-ylideneamino)hexyl]hexan-1-amine?
The canonical SMILES for 6-(4-methylpentan-2-ylideneamino)-N-[6-(4-methylpentan-2-ylideneamino)hexyl]hexan-1-amine is C/C(CC(C)C)=N\CCCCCCNCCCCCC/N=C(\C)CC(C)C.
What is the InChIKey of 6-(4-methylpentan-2-ylideneamino)-N-[6-(4-methylpentan-2-ylideneamino)hexyl]hexan-1-amine?
The InChIKey is ZGMQJOYUICXLDZ-LSBUKLHESA-N. The full InChI is InChI=1S/C24H49N3/c1-21(2)19-23(5)26-17-13-9-7-11-15-25-16-12-8-10-14-18-27-24(6)20-22(3)4/h21-22,25H,7-20H2,1-6H3/b26-23+,27-24+.
What are the key properties of 6-(4-methylpentan-2-ylideneamino)-N-[6-(4-methylpentan-2-ylideneamino)hexyl]hexan-1-amine?
6-(4-methylpentan-2-ylideneamino)-N-[6-(4-methylpentan-2-ylideneamino)hexyl]hexan-1-amine has a molecular weight of 379.68 g/mol, XLogP of 6.71, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpentan-2-ylideneamino)-N-[6-(4-methylpentan-2-ylideneamino)hexyl]hexan-1-amine is sourced from PubChem (CID 18660000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).