9-[1-methyl-2-(3-methylpentyl)cyclopentyl]tridecan-2-imine

C25H49N — CID 123355864

IUPAC9-[1-methyl-2-(3-methylpentyl)cyclopentyl]tridecan-2-imine
SMILES[H]/N=C(\C)CCCCCCC(CCCC)C1(C)CCCC1CCC(C)CC
InChIInChI=1S/C25H49N/c1-6-8-15-23(16-12-10-9-11-14-22(4)26)25(5)20-13-17-24(25)19-18-21(3)7-2/h21,23-24,26H,6-20H2,1-5H3/b26-22+
InChIKeyUFSWUAGOTISQEV-XTCLZLMSSA-N
MW363.67 g/mol
LogP8.81
Rot. Bonds15

About 9-[1-methyl-2-(3-methylpentyl)cyclopentyl]tridecan-2-imine

9-[1-methyl-2-(3-methylpentyl)cyclopentyl]tridecan-2-imine (PubChem CID 123355864) has the molecular formula C25H49N and a molecular weight of 363.67 g/mol. Its IUPAC name is 9-[1-methyl-2-(3-methylpentyl)cyclopentyl]tridecan-2-imine.

Molecular Properties

Compound Name9-[1-methyl-2-(3-methylpentyl)cyclopentyl]tridecan-2-imine
PubChem CID123355864
Molecular FormulaC25H49N
Molecular Weight363.67 g/mol
Exact Mass363.39
IUPAC Name9-[1-methyl-2-(3-methylpentyl)cyclopentyl]tridecan-2-imine
SMILES[H]/N=C(\C)CCCCCCC(CCCC)C1(C)CCCC1CCC(C)CC
InChIInChI=1S/C25H49N/c1-6-8-15-23(16-12-10-9-11-14-22(4)26)25(5)20-13-17-24(25)19-18-21(3)7-2/h21,23-24,26H,6-20H2,1-5H3/b26-22+
InChIKeyUFSWUAGOTISQEV-XTCLZLMSSA-N
XLogP8.81
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.67
LogP ≤ 58.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(3R)-2,2,3-trimethylcyclopentylidene]azanide
CID 135012154
(3R)-2,2,3-trimethylcyclopentan-1-imine
CID 135012155
CID 135012220
CID 135012220
8,10-Dihexylheptadecan-9-imine
CID 57042993
9,11-Diethylnonadecan-10-imine
CID 57188736
2-Methyl-7-(6-methylheptyl)pentadecan-6-imine
CID 88465287
18-Methyl-10-(6-methylheptyl)nonadecan-9-imine
CID 88465293
1-Cyclopentyl-3,3-dimethylbutan-1-imine
CID 89059195
2,2,3-Trimethylcyclopentan-1-imine
CID 89248994
5-Butyl-5-propylnonan-4-imine
CID 89354514
3-(2,2-Dimethylpropyl)-4,4,6,6-tetramethylheptan-2-imine
CID 89416132
3,4,5,6,7-Pentaethyl-3,4,5,6,7-pentamethylnonan-2-imine
CID 89484286

Frequently Asked Questions

What is the IUPAC name of 9-[1-methyl-2-(3-methylpentyl)cyclopentyl]tridecan-2-imine?
The IUPAC name of 9-[1-methyl-2-(3-methylpentyl)cyclopentyl]tridecan-2-imine (CID 123355864) is 9-[1-methyl-2-(3-methylpentyl)cyclopentyl]tridecan-2-imine.
What is the SMILES notation for 9-[1-methyl-2-(3-methylpentyl)cyclopentyl]tridecan-2-imine?
The canonical SMILES for 9-[1-methyl-2-(3-methylpentyl)cyclopentyl]tridecan-2-imine is [H]/N=C(\C)CCCCCCC(CCCC)C1(C)CCCC1CCC(C)CC.
What is the InChIKey of 9-[1-methyl-2-(3-methylpentyl)cyclopentyl]tridecan-2-imine?
The InChIKey is UFSWUAGOTISQEV-XTCLZLMSSA-N. The full InChI is InChI=1S/C25H49N/c1-6-8-15-23(16-12-10-9-11-14-22(4)26)25(5)20-13-17-24(25)19-18-21(3)7-2/h21,23-24,26H,6-20H2,1-5H3/b26-22+.
What are the key properties of 9-[1-methyl-2-(3-methylpentyl)cyclopentyl]tridecan-2-imine?
9-[1-methyl-2-(3-methylpentyl)cyclopentyl]tridecan-2-imine has a molecular weight of 363.67 g/mol, XLogP of 8.81, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-methyl-2-(3-methylpentyl)cyclopentyl]tridecan-2-imine is sourced from PubChem (CID 123355864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).