N-[(2R,3E,5Z)-4,6-dimethyl-2-(4-methylcyclohexyl)nona-3,5-dien-5-yl]methanimine

C19H33N — CID 126639721

IUPACN-[(2R,3E,5Z)-4,6-dimethyl-2-(4-methylcyclohexyl)nona-3,5-dien-5-yl]methanimine
SMILESC=NC(=C(/C)CCC)/C(C)=C/[C@H](C)C1CCC(C)CC1
InChIInChI=1S/C19H33N/c1-7-8-15(3)19(20-6)17(5)13-16(4)18-11-9-14(2)10-12-18/h13-14,16,18H,6-12H2,1-5H3/b17-13+,19-15-/t14?,16-,18?/m0/s1
InChIKeyZZHDOQZZKOWMEW-RMMGJKONSA-N
MW275.48 g/mol
LogP6.17
Rot. Bonds6

About N-[(2R,3E,5Z)-4,6-dimethyl-2-(4-methylcyclohexyl)nona-3,5-dien-5-yl]methanimine

N-[(2R,3E,5Z)-4,6-dimethyl-2-(4-methylcyclohexyl)nona-3,5-dien-5-yl]methanimine (PubChem CID 126639721) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is N-[(2R,3E,5Z)-4,6-dimethyl-2-(4-methylcyclohexyl)nona-3,5-dien-5-yl]methanimine.

Molecular Properties

Compound NameN-[(2R,3E,5Z)-4,6-dimethyl-2-(4-methylcyclohexyl)nona-3,5-dien-5-yl]methanimine
PubChem CID126639721
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC NameN-[(2R,3E,5Z)-4,6-dimethyl-2-(4-methylcyclohexyl)nona-3,5-dien-5-yl]methanimine
SMILESC=NC(=C(/C)CCC)/C(C)=C/[C@H](C)C1CCC(C)CC1
InChIInChI=1S/C19H33N/c1-7-8-15(3)19(20-6)17(5)13-16(4)18-11-9-14(2)10-12-18/h13-14,16,18H,6-12H2,1-5H3/b17-13+,19-15-/t14?,16-,18?/m0/s1
InChIKeyZZHDOQZZKOWMEW-RMMGJKONSA-N
XLogP6.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3E,5Z)-4,6-dimethyl-2-(4-methylcyclohexyl)nona-3,5-dien-5-yl]methanimine?
The IUPAC name of N-[(2R,3E,5Z)-4,6-dimethyl-2-(4-methylcyclohexyl)nona-3,5-dien-5-yl]methanimine (CID 126639721) is N-[(2R,3E,5Z)-4,6-dimethyl-2-(4-methylcyclohexyl)nona-3,5-dien-5-yl]methanimine.
What is the SMILES notation for N-[(2R,3E,5Z)-4,6-dimethyl-2-(4-methylcyclohexyl)nona-3,5-dien-5-yl]methanimine?
The canonical SMILES for N-[(2R,3E,5Z)-4,6-dimethyl-2-(4-methylcyclohexyl)nona-3,5-dien-5-yl]methanimine is C=NC(=C(/C)CCC)/C(C)=C/[C@H](C)C1CCC(C)CC1.
What is the InChIKey of N-[(2R,3E,5Z)-4,6-dimethyl-2-(4-methylcyclohexyl)nona-3,5-dien-5-yl]methanimine?
The InChIKey is ZZHDOQZZKOWMEW-RMMGJKONSA-N. The full InChI is InChI=1S/C19H33N/c1-7-8-15(3)19(20-6)17(5)13-16(4)18-11-9-14(2)10-12-18/h13-14,16,18H,6-12H2,1-5H3/b17-13+,19-15-/t14?,16-,18?/m0/s1.
What are the key properties of N-[(2R,3E,5Z)-4,6-dimethyl-2-(4-methylcyclohexyl)nona-3,5-dien-5-yl]methanimine?
N-[(2R,3E,5Z)-4,6-dimethyl-2-(4-methylcyclohexyl)nona-3,5-dien-5-yl]methanimine has a molecular weight of 275.48 g/mol, XLogP of 6.17, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3E,5Z)-4,6-dimethyl-2-(4-methylcyclohexyl)nona-3,5-dien-5-yl]methanimine is sourced from PubChem (CID 126639721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).