N-(2,2-dimethyl-1-phenylpropyl)-3,3-dimethylcyclopentan-1-amine

C18H29N — CID 80705631

IUPACN-(2,2-dimethyl-1-phenylpropyl)-3,3-dimethylcyclopentan-1-amine
SMILESCC1(C)CCC(NC(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C18H29N/c1-17(2,3)16(14-9-7-6-8-10-14)19-15-11-12-18(4,5)13-15/h6-10,15-16,19H,11-13H2,1-5H3
InChIKeyQAOQVPLIEWKZTA-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.94
Rot. Bonds3

About N-(2,2-dimethyl-1-phenylpropyl)-3,3-dimethylcyclopentan-1-amine

N-(2,2-dimethyl-1-phenylpropyl)-3,3-dimethylcyclopentan-1-amine (PubChem CID 80705631) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-(2,2-dimethyl-1-phenylpropyl)-3,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethyl-1-phenylpropyl)-3,3-dimethylcyclopentan-1-amine
PubChem CID80705631
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-(2,2-dimethyl-1-phenylpropyl)-3,3-dimethylcyclopentan-1-amine
SMILESCC1(C)CCC(NC(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C18H29N/c1-17(2,3)16(14-9-7-6-8-10-14)19-15-11-12-18(4,5)13-15/h6-10,15-16,19H,11-13H2,1-5H3
InChIKeyQAOQVPLIEWKZTA-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-dimethyl-N-[(1R)-1-phenylethyl]cyclopentan-1-amine
CID 81350463
N-(2,2-dimethyl-1-phenylpropyl)-2,4,4-trimethylcyclopentan-1-amine
CID 106661950
N-(2,2-dimethyl-1-phenylpropyl)-1-methylpiperidin-4-amine
CID 43693262
ethyl 2-[(3,3-dimethylcyclopentyl)amino]-2-phenylacetate
CID 103882376
1-[4-[(2,2-dimethyl-1-phenylpropyl)amino]piperidin-1-yl]ethanone
CID 43783246
3,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine
CID 80705463
N-[1-(2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80692056
3,3-dimethyl-N-[1-(2-methylphenyl)propan-2-yl]cyclopentan-1-amine
CID 80706411
N-[1-(2-chlorophenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine
CID 80693498
3,3-dimethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
CID 107876320
N-(1-cyclopropylethyl)-2,2-dimethyl-1-phenylpropan-1-amine
CID 43693312
1-(2-bromophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine
CID 114544846

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1-phenylpropyl)-3,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-(2,2-dimethyl-1-phenylpropyl)-3,3-dimethylcyclopentan-1-amine (CID 80705631) is N-(2,2-dimethyl-1-phenylpropyl)-3,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-(2,2-dimethyl-1-phenylpropyl)-3,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-(2,2-dimethyl-1-phenylpropyl)-3,3-dimethylcyclopentan-1-amine is CC1(C)CCC(NC(c2ccccc2)C(C)(C)C)C1.
What is the InChIKey of N-(2,2-dimethyl-1-phenylpropyl)-3,3-dimethylcyclopentan-1-amine?
The InChIKey is QAOQVPLIEWKZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-17(2,3)16(14-9-7-6-8-10-14)19-15-11-12-18(4,5)13-15/h6-10,15-16,19H,11-13H2,1-5H3.
What are the key properties of N-(2,2-dimethyl-1-phenylpropyl)-3,3-dimethylcyclopentan-1-amine?
N-(2,2-dimethyl-1-phenylpropyl)-3,3-dimethylcyclopentan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.94, 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)-3,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 80705631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).