2,4,4-trimethyl-N-(1-phenylpropyl)cyclopentan-1-amine

C17H27N — CID 106662456

IUPAC2,4,4-trimethyl-N-(1-phenylpropyl)cyclopentan-1-amine
SMILESCCC(NC1CC(C)(C)CC1C)c1ccccc1
InChIInChI=1S/C17H27N/c1-5-15(14-9-7-6-8-10-14)18-16-12-17(3,4)11-13(16)2/h6-10,13,15-16,18H,5,11-12H2,1-4H3
InChIKeyGPFGIQBJSVDRLM-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.55
Rot. Bonds4

About 2,4,4-trimethyl-N-(1-phenylpropyl)cyclopentan-1-amine

2,4,4-trimethyl-N-(1-phenylpropyl)cyclopentan-1-amine (PubChem CID 106662456) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-(1-phenylpropyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-(1-phenylpropyl)cyclopentan-1-amine
PubChem CID106662456
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2,4,4-trimethyl-N-(1-phenylpropyl)cyclopentan-1-amine
SMILESCCC(NC1CC(C)(C)CC1C)c1ccccc1
InChIInChI=1S/C17H27N/c1-5-15(14-9-7-6-8-10-14)18-16-12-17(3,4)11-13(16)2/h6-10,13,15-16,18H,5,11-12H2,1-4H3
InChIKeyGPFGIQBJSVDRLM-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]ethanol
CID 107093789
2,4,4-trimethyl-N-(3-methyl-1-phenylbutyl)cyclopentan-1-amine
CID 106661989
N-(2,2-dimethyl-1-phenylpropyl)-2,4,4-trimethylcyclopentan-1-amine
CID 106661950
2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]acetic acid
CID 106662453
2,4-dimethyl-N-(1-phenylpropyl)cyclohexan-1-amine
CID 63994859
5,5-dimethyl-N-(1-phenylpropyl)thian-3-amine
CID 79958398
1,2,5-trimethyl-N-(1-phenylpropyl)piperidin-4-amine
CID 62305036
2-methyl-N-(1-phenylpropyl)thian-3-amine
CID 79957680
N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661502
2,4,4-trimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 81321669
2-methyl-N-[1-(4-methylphenyl)propyl]cyclopropan-1-amine
CID 62397495
N-(1-phenylpropyl)oxetan-3-amine
CID 63624948

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-(1-phenylpropyl)cyclopentan-1-amine?
The IUPAC name of 2,4,4-trimethyl-N-(1-phenylpropyl)cyclopentan-1-amine (CID 106662456) is 2,4,4-trimethyl-N-(1-phenylpropyl)cyclopentan-1-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-(1-phenylpropyl)cyclopentan-1-amine?
The canonical SMILES for 2,4,4-trimethyl-N-(1-phenylpropyl)cyclopentan-1-amine is CCC(NC1CC(C)(C)CC1C)c1ccccc1.
What is the InChIKey of 2,4,4-trimethyl-N-(1-phenylpropyl)cyclopentan-1-amine?
The InChIKey is GPFGIQBJSVDRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-5-15(14-9-7-6-8-10-14)18-16-12-17(3,4)11-13(16)2/h6-10,13,15-16,18H,5,11-12H2,1-4H3.
What are the key properties of 2,4,4-trimethyl-N-(1-phenylpropyl)cyclopentan-1-amine?
2,4,4-trimethyl-N-(1-phenylpropyl)cyclopentan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-(1-phenylpropyl)cyclopentan-1-amine is sourced from PubChem (CID 106662456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).