4-(1-aminoheptan-2-ylideneamino)-N-methyl-3-methylidene-2-(2-methylpropyl)pentan-1-amine

C18H37N3 — CID 123638445

IUPAC4-(1-aminoheptan-2-ylideneamino)-N-methyl-3-methylidene-2-(2-methylpropyl)pentan-1-amine
SMILESC=C(C(CNC)CC(C)C)C(C)/N=C(/CN)CCCCC
InChIInChI=1S/C18H37N3/c1-7-8-9-10-18(12-19)21-16(5)15(4)17(13-20-6)11-14(2)3/h14,16-17,20H,4,7-13,19H2,1-3,5-6H3/b21-18+
InChIKeyXVGWLCVAHHWAEX-DYTRJAOYSA-N
MW295.52 g/mol
LogP3.79
Rot. Bonds12

About 4-(1-aminoheptan-2-ylideneamino)-N-methyl-3-methylidene-2-(2-methylpropyl)pentan-1-amine

4-(1-aminoheptan-2-ylideneamino)-N-methyl-3-methylidene-2-(2-methylpropyl)pentan-1-amine (PubChem CID 123638445) has the molecular formula C18H37N3 and a molecular weight of 295.52 g/mol. Its IUPAC name is 4-(1-aminoheptan-2-ylideneamino)-N-methyl-3-methylidene-2-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name4-(1-aminoheptan-2-ylideneamino)-N-methyl-3-methylidene-2-(2-methylpropyl)pentan-1-amine
PubChem CID123638445
Molecular FormulaC18H37N3
Molecular Weight295.52 g/mol
Exact Mass295.30
IUPAC Name4-(1-aminoheptan-2-ylideneamino)-N-methyl-3-methylidene-2-(2-methylpropyl)pentan-1-amine
SMILESC=C(C(CNC)CC(C)C)C(C)/N=C(/CN)CCCCC
InChIInChI=1S/C18H37N3/c1-7-8-9-10-18(12-19)21-16(5)15(4)17(13-20-6)11-14(2)3/h14,16-17,20H,4,7-13,19H2,1-3,5-6H3/b21-18+
InChIKeyXVGWLCVAHHWAEX-DYTRJAOYSA-N
XLogP3.79
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.52
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoheptan-2-ylideneamino)-N-methyl-3-methylidene-2-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 4-(1-aminoheptan-2-ylideneamino)-N-methyl-3-methylidene-2-(2-methylpropyl)pentan-1-amine (CID 123638445) is 4-(1-aminoheptan-2-ylideneamino)-N-methyl-3-methylidene-2-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 4-(1-aminoheptan-2-ylideneamino)-N-methyl-3-methylidene-2-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 4-(1-aminoheptan-2-ylideneamino)-N-methyl-3-methylidene-2-(2-methylpropyl)pentan-1-amine is C=C(C(CNC)CC(C)C)C(C)/N=C(/CN)CCCCC.
What is the InChIKey of 4-(1-aminoheptan-2-ylideneamino)-N-methyl-3-methylidene-2-(2-methylpropyl)pentan-1-amine?
The InChIKey is XVGWLCVAHHWAEX-DYTRJAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-7-8-9-10-18(12-19)21-16(5)15(4)17(13-20-6)11-14(2)3/h14,16-17,20H,4,7-13,19H2,1-3,5-6H3/b21-18+.
What are the key properties of 4-(1-aminoheptan-2-ylideneamino)-N-methyl-3-methylidene-2-(2-methylpropyl)pentan-1-amine?
4-(1-aminoheptan-2-ylideneamino)-N-methyl-3-methylidene-2-(2-methylpropyl)pentan-1-amine has a molecular weight of 295.52 g/mol, XLogP of 3.79, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoheptan-2-ylideneamino)-N-methyl-3-methylidene-2-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 123638445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).