2-cyclopropyl-N-[(2S)-4,8-dimethylnon-7-en-2-yl]-3-methylheptan-1-imine

C22H41N — CID 70961241

IUPAC2-cyclopropyl-N-[(2S)-4,8-dimethylnon-7-en-2-yl]-3-methylheptan-1-imine
SMILESCCCCC(C)C(/C=N/[C@@H](C)CC(C)CCC=C(C)C)C1CC1
InChIInChI=1S/C22H41N/c1-7-8-12-19(5)22(21-13-14-21)16-23-20(6)15-18(4)11-9-10-17(2)3/h10,16,18-22H,7-9,11-15H2,1-6H3/b23-16+/t18?,19?,20-,22?/m0/s1
InChIKeyPIZNPVGCGCSMMA-VZXFOQMNSA-N
MW319.58 g/mol
LogP7.07
Rot. Bonds12

About 2-cyclopropyl-N-[(2S)-4,8-dimethylnon-7-en-2-yl]-3-methylheptan-1-imine

2-cyclopropyl-N-[(2S)-4,8-dimethylnon-7-en-2-yl]-3-methylheptan-1-imine (PubChem CID 70961241) has the molecular formula C22H41N and a molecular weight of 319.58 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(2S)-4,8-dimethylnon-7-en-2-yl]-3-methylheptan-1-imine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(2S)-4,8-dimethylnon-7-en-2-yl]-3-methylheptan-1-imine
PubChem CID70961241
Molecular FormulaC22H41N
Molecular Weight319.58 g/mol
Exact Mass319.32
IUPAC Name2-cyclopropyl-N-[(2S)-4,8-dimethylnon-7-en-2-yl]-3-methylheptan-1-imine
SMILESCCCCC(C)C(/C=N/[C@@H](C)CC(C)CCC=C(C)C)C1CC1
InChIInChI=1S/C22H41N/c1-7-8-12-19(5)22(21-13-14-21)16-23-20(6)15-18(4)11-9-10-17(2)3/h10,16,18-22H,7-9,11-15H2,1-6H3/b23-16+/t18?,19?,20-,22?/m0/s1
InChIKeyPIZNPVGCGCSMMA-VZXFOQMNSA-N
XLogP7.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.58
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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3,5-Dibutyl-2-pentyl-2,3-dihydropyridine
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2,11-Di(hexan-3-yl)-1-azacyclododeca-4,8,12-triene
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2-Cyclohexyl-11-pentyl-1-azacyclododeca-4,8,12-triene
CID 56991544
11-Butyl-2-cyclopentyl-1-azacyclododeca-4,8,12-triene
CID 57061422
N-dec-9-enyl-1-[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methanimine
CID 59008587
2-[(4S)-4-cyclohex-2-en-1-ylcyclohex-2-en-1-yl]-2H-azirine
CID 70325313
2-(3-Butylcyclopentyl)-1-azacyclododeca-4,8,12-triene
CID 70597074
(5R)-5-[(Z)-6-ethyl-3,3,9-trimethyldec-5-enyl]-5,6,7,7a-tetrahydro-3H-indole
CID 89973111
3-(2-Methylbutylidene)-4-propyl-2,4,5,6,7,8-hexahydroazonine
CID 90769610
N-ethyl-2-[(2-propylcyclopropylidene)methyl]-3-(1,2,5-trimethylcyclooctyl)propan-1-imine
CID 91085247

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(2S)-4,8-dimethylnon-7-en-2-yl]-3-methylheptan-1-imine?
The IUPAC name of 2-cyclopropyl-N-[(2S)-4,8-dimethylnon-7-en-2-yl]-3-methylheptan-1-imine (CID 70961241) is 2-cyclopropyl-N-[(2S)-4,8-dimethylnon-7-en-2-yl]-3-methylheptan-1-imine.
What is the SMILES notation for 2-cyclopropyl-N-[(2S)-4,8-dimethylnon-7-en-2-yl]-3-methylheptan-1-imine?
The canonical SMILES for 2-cyclopropyl-N-[(2S)-4,8-dimethylnon-7-en-2-yl]-3-methylheptan-1-imine is CCCCC(C)C(/C=N/[C@@H](C)CC(C)CCC=C(C)C)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-[(2S)-4,8-dimethylnon-7-en-2-yl]-3-methylheptan-1-imine?
The InChIKey is PIZNPVGCGCSMMA-VZXFOQMNSA-N. The full InChI is InChI=1S/C22H41N/c1-7-8-12-19(5)22(21-13-14-21)16-23-20(6)15-18(4)11-9-10-17(2)3/h10,16,18-22H,7-9,11-15H2,1-6H3/b23-16+/t18?,19?,20-,22?/m0/s1.
What are the key properties of 2-cyclopropyl-N-[(2S)-4,8-dimethylnon-7-en-2-yl]-3-methylheptan-1-imine?
2-cyclopropyl-N-[(2S)-4,8-dimethylnon-7-en-2-yl]-3-methylheptan-1-imine has a molecular weight of 319.58 g/mol, XLogP of 7.07, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(2S)-4,8-dimethylnon-7-en-2-yl]-3-methylheptan-1-imine is sourced from PubChem (CID 70961241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).