N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide

C16H24N2O — CID 107176029

IUPACN-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC(N)c1ccccc1NC(=O)C1CCCC1(C)C
InChIInChI=1S/C16H24N2O/c1-11(17)12-7-4-5-9-14(12)18-15(19)13-8-6-10-16(13,2)3/h4-5,7,9,11,13H,6,8,10,17H2,1-3H3,(H,18,19)
InChIKeyUYXOHBVBEAAKKG-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.47
Rot. Bonds3

About N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide

N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide (PubChem CID 107176029) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide
PubChem CID107176029
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC(N)c1ccccc1NC(=O)C1CCCC1(C)C
InChIInChI=1S/C16H24N2O/c1-11(17)12-7-4-5-9-14(12)18-15(19)13-8-6-10-16(13,2)3/h4-5,7,9,11,13H,6,8,10,17H2,1-3H3,(H,18,19)
InChIKeyUYXOHBVBEAAKKG-UHFFFAOYSA-N
XLogP3.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107176027
N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107000562
2,2-dimethyl-N-phenylcyclopentane-1-carboxamide
CID 103846294
2-[2-[(2,2-dimethylcyclohexanecarbonyl)amino]phenyl]acetic acid
CID 107175401
N-(2-cyanophenyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107178518
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107181267
N-(4-amino-2-methoxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174704
N-(4-amino-2,6-dimethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174944
N-(2-bromo-4-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104920682
N-(4-amino-2-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107174697
2-[(2,2-dimethylcyclohexanecarbonyl)amino]-6-fluorobenzoic acid
CID 107175171
N-[2-(1-chloroethyl)phenyl]cyclobutanecarboxamide
CID 114304919

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide (CID 107176029) is N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide is CC(N)c1ccccc1NC(=O)C1CCCC1(C)C.
What is the InChIKey of N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is UYXOHBVBEAAKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11(17)12-7-4-5-9-14(12)18-15(19)13-8-6-10-16(13,2)3/h4-5,7,9,11,13H,6,8,10,17H2,1-3H3,(H,18,19).
What are the key properties of N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide?
N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 107176029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).