N-[(Z)-2-[C-(3-ethyl-4,4-dimethylcyclohexen-1-yl)-N-methylcarbonimidoyl]but-2-enyl]-N,4,4-trimethylpentan-1-amine

C24H44N2 — CID 155129926

IUPACN-[(Z)-2-[C-(3-ethyl-4,4-dimethylcyclohexen-1-yl)-N-methylcarbonimidoyl]but-2-enyl]-N,4,4-trimethylpentan-1-amine
SMILESC/C=C(CN(C)CCCC(C)(C)C)\C(=N/C)C1=CC(CC)C(C)(C)CC1
InChIInChI=1S/C24H44N2/c1-10-19(18-26(9)16-12-14-23(3,4)5)22(25-8)20-13-15-24(6,7)21(11-2)17-20/h10,17,21H,11-16,18H2,1-9H3/b19-10-,25-22+
InChIKeyIMUZXLMODKHDDY-QPEGHUKDSA-N
MW360.63 g/mol
LogP6.53
Rot. Bonds8

About N-[(Z)-2-[C-(3-ethyl-4,4-dimethylcyclohexen-1-yl)-N-methylcarbonimidoyl]but-2-enyl]-N,4,4-trimethylpentan-1-amine

N-[(Z)-2-[C-(3-ethyl-4,4-dimethylcyclohexen-1-yl)-N-methylcarbonimidoyl]but-2-enyl]-N,4,4-trimethylpentan-1-amine (PubChem CID 155129926) has the molecular formula C24H44N2 and a molecular weight of 360.63 g/mol. Its IUPAC name is N-[(Z)-2-[C-(3-ethyl-4,4-dimethylcyclohexen-1-yl)-N-methylcarbonimidoyl]but-2-enyl]-N,4,4-trimethylpentan-1-amine.

Molecular Properties

Compound NameN-[(Z)-2-[C-(3-ethyl-4,4-dimethylcyclohexen-1-yl)-N-methylcarbonimidoyl]but-2-enyl]-N,4,4-trimethylpentan-1-amine
PubChem CID155129926
Molecular FormulaC24H44N2
Molecular Weight360.63 g/mol
Exact Mass360.35
IUPAC NameN-[(Z)-2-[C-(3-ethyl-4,4-dimethylcyclohexen-1-yl)-N-methylcarbonimidoyl]but-2-enyl]-N,4,4-trimethylpentan-1-amine
SMILESC/C=C(CN(C)CCCC(C)(C)C)\C(=N/C)C1=CC(CC)C(C)(C)CC1
InChIInChI=1S/C24H44N2/c1-10-19(18-26(9)16-12-14-23(3,4)5)22(25-8)20-13-15-24(6,7)21(11-2)17-20/h10,17,21H,11-16,18H2,1-9H3/b19-10-,25-22+
InChIKeyIMUZXLMODKHDDY-QPEGHUKDSA-N
XLogP6.53
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.63
LogP ≤ 56.53
H-Bond Donors ≤ 50
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 N-[(Z)-2-[C-(3-ethyl-4,4-dimethylcyclohexen-1-yl)-N-methylcarbonimidoyl]but-2-enyl]-N,4,4-trimethylpentan-1-amine?
The IUPAC name of N-[(Z)-2-[C-(3-ethyl-4,4-dimethylcyclohexen-1-yl)-N-methylcarbonimidoyl]but-2-enyl]-N,4,4-trimethylpentan-1-amine (CID 155129926) is N-[(Z)-2-[C-(3-ethyl-4,4-dimethylcyclohexen-1-yl)-N-methylcarbonimidoyl]but-2-enyl]-N,4,4-trimethylpentan-1-amine.
What is the SMILES notation for N-[(Z)-2-[C-(3-ethyl-4,4-dimethylcyclohexen-1-yl)-N-methylcarbonimidoyl]but-2-enyl]-N,4,4-trimethylpentan-1-amine?
The canonical SMILES for N-[(Z)-2-[C-(3-ethyl-4,4-dimethylcyclohexen-1-yl)-N-methylcarbonimidoyl]but-2-enyl]-N,4,4-trimethylpentan-1-amine is C/C=C(CN(C)CCCC(C)(C)C)\C(=N/C)C1=CC(CC)C(C)(C)CC1.
What is the InChIKey of N-[(Z)-2-[C-(3-ethyl-4,4-dimethylcyclohexen-1-yl)-N-methylcarbonimidoyl]but-2-enyl]-N,4,4-trimethylpentan-1-amine?
The InChIKey is IMUZXLMODKHDDY-QPEGHUKDSA-N. The full InChI is InChI=1S/C24H44N2/c1-10-19(18-26(9)16-12-14-23(3,4)5)22(25-8)20-13-15-24(6,7)21(11-2)17-20/h10,17,21H,11-16,18H2,1-9H3/b19-10-,25-22+.
What are the key properties of N-[(Z)-2-[C-(3-ethyl-4,4-dimethylcyclohexen-1-yl)-N-methylcarbonimidoyl]but-2-enyl]-N,4,4-trimethylpentan-1-amine?
N-[(Z)-2-[C-(3-ethyl-4,4-dimethylcyclohexen-1-yl)-N-methylcarbonimidoyl]but-2-enyl]-N,4,4-trimethylpentan-1-amine has a molecular weight of 360.63 g/mol, XLogP of 6.53, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-[C-(3-ethyl-4,4-dimethylcyclohexen-1-yl)-N-methylcarbonimidoyl]but-2-enyl]-N,4,4-trimethylpentan-1-amine is sourced from PubChem (CID 155129926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).