4-[N-(5,5-diethylheptan-2-yl)-C-methylcarbonimidoyl]cyclohexa-1,5-dien-1-amine

C19H34N2 — CID 89074096

IUPAC4-[N-(5,5-diethylheptan-2-yl)-C-methylcarbonimidoyl]cyclohexa-1,5-dien-1-amine
SMILESCCC(CC)(CC)CCC(C)/N=C(\C)C1C=CC(N)=CC1
InChIInChI=1S/C19H34N2/c1-6-19(7-2,8-3)14-13-15(4)21-16(5)17-9-11-18(20)12-10-17/h9,11-12,15,17H,6-8,10,13-14,20H2,1-5H3/b21-16+
InChIKeyPUNGYZBJPYFTME-LTGZKZEYSA-N
MW290.50 g/mol
LogP5.25
Rot. Bonds8

About 4-[N-(5,5-diethylheptan-2-yl)-C-methylcarbonimidoyl]cyclohexa-1,5-dien-1-amine

4-[N-(5,5-diethylheptan-2-yl)-C-methylcarbonimidoyl]cyclohexa-1,5-dien-1-amine (PubChem CID 89074096) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 4-[N-(5,5-diethylheptan-2-yl)-C-methylcarbonimidoyl]cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-[N-(5,5-diethylheptan-2-yl)-C-methylcarbonimidoyl]cyclohexa-1,5-dien-1-amine
PubChem CID89074096
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name4-[N-(5,5-diethylheptan-2-yl)-C-methylcarbonimidoyl]cyclohexa-1,5-dien-1-amine
SMILESCCC(CC)(CC)CCC(C)/N=C(\C)C1C=CC(N)=CC1
InChIInChI=1S/C19H34N2/c1-6-19(7-2,8-3)14-13-15(4)21-16(5)17-9-11-18(20)12-10-17/h9,11-12,15,17H,6-8,10,13-14,20H2,1-5H3/b21-16+
InChIKeyPUNGYZBJPYFTME-LTGZKZEYSA-N
XLogP5.25
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.50
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[N-(5,5-diethylheptan-2-yl)-C-methylcarbonimidoyl]cyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-[N-(5,5-diethylheptan-2-yl)-C-methylcarbonimidoyl]cyclohexa-1,5-dien-1-amine (CID 89074096) is 4-[N-(5,5-diethylheptan-2-yl)-C-methylcarbonimidoyl]cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-[N-(5,5-diethylheptan-2-yl)-C-methylcarbonimidoyl]cyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-[N-(5,5-diethylheptan-2-yl)-C-methylcarbonimidoyl]cyclohexa-1,5-dien-1-amine is CCC(CC)(CC)CCC(C)/N=C(\C)C1C=CC(N)=CC1.
What is the InChIKey of 4-[N-(5,5-diethylheptan-2-yl)-C-methylcarbonimidoyl]cyclohexa-1,5-dien-1-amine?
The InChIKey is PUNGYZBJPYFTME-LTGZKZEYSA-N. The full InChI is InChI=1S/C19H34N2/c1-6-19(7-2,8-3)14-13-15(4)21-16(5)17-9-11-18(20)12-10-17/h9,11-12,15,17H,6-8,10,13-14,20H2,1-5H3/b21-16+.
What are the key properties of 4-[N-(5,5-diethylheptan-2-yl)-C-methylcarbonimidoyl]cyclohexa-1,5-dien-1-amine?
4-[N-(5,5-diethylheptan-2-yl)-C-methylcarbonimidoyl]cyclohexa-1,5-dien-1-amine has a molecular weight of 290.50 g/mol, XLogP of 5.25, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-(5,5-diethylheptan-2-yl)-C-methylcarbonimidoyl]cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 89074096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).