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

C17H26N2O — CID 107176027

IUPACN-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide
SMILESCC(N)c1ccccc1NC(=O)C1CCCCC1(C)C
InChIInChI=1S/C17H26N2O/c1-12(18)13-8-4-5-10-15(13)19-16(20)14-9-6-7-11-17(14,2)3/h4-5,8,10,12,14H,6-7,9,11,18H2,1-3H3,(H,19,20)
InChIKeyCOUZFWJRDMEXLC-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.86
Rot. Bonds3

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

N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide (PubChem CID 107176027) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide
PubChem CID107176027
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide
SMILESCC(N)c1ccccc1NC(=O)C1CCCCC1(C)C
InChIInChI=1S/C17H26N2O/c1-12(18)13-8-4-5-10-15(13)19-16(20)14-9-6-7-11-17(14,2)3/h4-5,8,10,12,14H,6-7,9,11,18H2,1-3H3,(H,19,20)
InChIKeyCOUZFWJRDMEXLC-UHFFFAOYSA-N
XLogP3.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107176029
N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107000562
2-[2-[(2,2-dimethylcyclohexanecarbonyl)amino]phenyl]acetic acid
CID 107175401
N-(2-cyanophenyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107178518
N-(4-amino-2-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107174697
2-[(2,2-dimethylcyclohexanecarbonyl)amino]-6-fluorobenzoic acid
CID 107175171
2,2-dimethyl-N-phenylcyclopentane-1-carboxamide
CID 103846294
N-[3-(1-hydroxyethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107180494
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107181267
(2S)-2-[(2,2-dimethylcyclohexanecarbonyl)amino]-2-phenylacetic acid
CID 107175933
4-chloro-3-[(2,2-dimethylcyclohexanecarbonyl)amino]benzoic acid
CID 107175125
N-[4-(aminomethyl)-2-fluorophenyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107174662

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide (CID 107176027) is N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide is CC(N)c1ccccc1NC(=O)C1CCCCC1(C)C.
What is the InChIKey of N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide?
The InChIKey is COUZFWJRDMEXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12(18)13-8-4-5-10-15(13)19-16(20)14-9-6-7-11-17(14,2)3/h4-5,8,10,12,14H,6-7,9,11,18H2,1-3H3,(H,19,20).
What are the key properties of N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide?
N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 3.86, 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-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 107176027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).