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/t18?,19?,20-,22?/m0/s1
InChIKeyPIZNPVGCGCSMMA-LJYGWVNYSA-N
MW319.60 g/mol
LogP7.90
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 319.60 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 Weight319.60 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/t18?,19?,20-,22?/m0/s1
InChIKeyPIZNPVGCGCSMMA-LJYGWVNYSA-N
XLogP7.90
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity360

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.60
LogP ≤ 57.90
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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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-LJYGWVNYSA-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/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 319.60 g/mol, XLogP of 7.90, 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).