N-(2,2-dimethyl-1-phenylpropyl)-2,4,4-trimethylcyclopentan-1-amine

C19H31N — CID 106661950

IUPACN-(2,2-dimethyl-1-phenylpropyl)-2,4,4-trimethylcyclopentan-1-amine
SMILESCC1CC(C)(C)CC1NC(c1ccccc1)C(C)(C)C
InChIInChI=1S/C19H31N/c1-14-12-19(5,6)13-16(14)20-17(18(2,3)4)15-10-8-7-9-11-15/h7-11,14,16-17,20H,12-13H2,1-6H3
InChIKeyXRNFPTIEPRUOPU-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.19
Rot. Bonds3

About N-(2,2-dimethyl-1-phenylpropyl)-2,4,4-trimethylcyclopentan-1-amine

N-(2,2-dimethyl-1-phenylpropyl)-2,4,4-trimethylcyclopentan-1-amine (PubChem CID 106661950) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-(2,2-dimethyl-1-phenylpropyl)-2,4,4-trimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethyl-1-phenylpropyl)-2,4,4-trimethylcyclopentan-1-amine
PubChem CID106661950
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-(2,2-dimethyl-1-phenylpropyl)-2,4,4-trimethylcyclopentan-1-amine
SMILESCC1CC(C)(C)CC1NC(c1ccccc1)C(C)(C)C
InChIInChI=1S/C19H31N/c1-14-12-19(5,6)13-16(14)20-17(18(2,3)4)15-10-8-7-9-11-15/h7-11,14,16-17,20H,12-13H2,1-6H3
InChIKeyXRNFPTIEPRUOPU-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,4-trimethyl-N-(1-phenylpropyl)cyclopentan-1-amine
CID 106662456
(2R)-2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]ethanol
CID 107093789
2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]acetic acid
CID 106662453
2,4,4-trimethyl-N-(3-methyl-1-phenylbutyl)cyclopentan-1-amine
CID 106661989
N-(2,2-dimethyl-1-phenylpropyl)-3,3-dimethylcyclopentan-1-amine
CID 80705631
N-(2,2-dimethyl-1-phenylpropyl)-1,2,5-trimethylpiperidin-4-amine
CID 43693331
N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661502
N-[(1R)-1-(2-bromophenyl)ethyl]-2,4,4-trimethylcyclopentan-1-amine
CID 106662665
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,4,4-trimethylcyclopentan-1-amine
CID 106661841
N-(2,2-dimethyl-1-phenylpropyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853453
N-(2,2-dimethyl-1-phenylpropyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43783255
N-(2,2-dimethyl-1-phenylpropyl)-1-methylpiperidin-4-amine
CID 43693262

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1-phenylpropyl)-2,4,4-trimethylcyclopentan-1-amine?
The IUPAC name of N-(2,2-dimethyl-1-phenylpropyl)-2,4,4-trimethylcyclopentan-1-amine (CID 106661950) is N-(2,2-dimethyl-1-phenylpropyl)-2,4,4-trimethylcyclopentan-1-amine.
What is the SMILES notation for N-(2,2-dimethyl-1-phenylpropyl)-2,4,4-trimethylcyclopentan-1-amine?
The canonical SMILES for N-(2,2-dimethyl-1-phenylpropyl)-2,4,4-trimethylcyclopentan-1-amine is CC1CC(C)(C)CC1NC(c1ccccc1)C(C)(C)C.
What is the InChIKey of N-(2,2-dimethyl-1-phenylpropyl)-2,4,4-trimethylcyclopentan-1-amine?
The InChIKey is XRNFPTIEPRUOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-14-12-19(5,6)13-16(14)20-17(18(2,3)4)15-10-8-7-9-11-15/h7-11,14,16-17,20H,12-13H2,1-6H3.
What are the key properties of N-(2,2-dimethyl-1-phenylpropyl)-2,4,4-trimethylcyclopentan-1-amine?
N-(2,2-dimethyl-1-phenylpropyl)-2,4,4-trimethylcyclopentan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1-phenylpropyl)-2,4,4-trimethylcyclopentan-1-amine is sourced from PubChem (CID 106661950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).