N-[[4-(2-aminoethyl)phenyl]methyl]-1-methylcyclohexane-1-carboxamide

C17H26N2O — CID 106827980

IUPACN-[[4-(2-aminoethyl)phenyl]methyl]-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)NCc2ccc(CCN)cc2)CCCCC1
InChIInChI=1S/C17H26N2O/c1-17(10-3-2-4-11-17)16(20)19-13-15-7-5-14(6-8-15)9-12-18/h5-8H,2-4,9-13,18H2,1H3,(H,19,20)
InChIKeyIZICMSGJXQYWKB-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.77
Rot. Bonds5

About N-[[4-(2-aminoethyl)phenyl]methyl]-1-methylcyclohexane-1-carboxamide

N-[[4-(2-aminoethyl)phenyl]methyl]-1-methylcyclohexane-1-carboxamide (PubChem CID 106827980) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[4-(2-aminoethyl)phenyl]methyl]-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-aminoethyl)phenyl]methyl]-1-methylcyclohexane-1-carboxamide
PubChem CID106827980
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[[4-(2-aminoethyl)phenyl]methyl]-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)NCc2ccc(CCN)cc2)CCCCC1
InChIInChI=1S/C17H26N2O/c1-17(10-3-2-4-11-17)16(20)19-13-15-7-5-14(6-8-15)9-12-18/h5-8H,2-4,9-13,18H2,1H3,(H,19,20)
InChIKeyIZICMSGJXQYWKB-UHFFFAOYSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylcyclopentane-1-carboxamide
CID 107231871
N-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-1-methylcyclohexane-1-carboxamide
CID 106828692
N-[[4-(2-aminoethyl)phenyl]methyl]-2,4,6-trimethyloxane-4-carboxamide;hydrochloride
CID 154577907
N-[(3-bromophenyl)methyl]-1-methylcyclohexane-1-carboxamide
CID 104985996
N-[[4-(2-aminoethyl)phenyl]methyl]-1-methylcyclopentan-1-amine
CID 64687047
1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclohexylurea
CID 62500632
N-[(3-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 78962026
5-[[(1-methylcycloheptanecarbonyl)amino]methyl]furan-2-carboxylic acid
CID 120527275
4-[4-[[(1-methylcycloheptanecarbonyl)amino]methyl]phenoxy]butanoic acid
CID 120527502
N-[[4-(2-aminoethyl)phenyl]methyl]cyclooctanecarboxamide
CID 65022816
N-[[4-(2-aminoethyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 62501487
N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclohexane-1-carboxamide
CID 171793117

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-1-methylcyclohexane-1-carboxamide (CID 106827980) is N-[[4-(2-aminoethyl)phenyl]methyl]-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[[4-(2-aminoethyl)phenyl]methyl]-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[[4-(2-aminoethyl)phenyl]methyl]-1-methylcyclohexane-1-carboxamide is CC1(C(=O)NCc2ccc(CCN)cc2)CCCCC1.
What is the InChIKey of N-[[4-(2-aminoethyl)phenyl]methyl]-1-methylcyclohexane-1-carboxamide?
The InChIKey is IZICMSGJXQYWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-17(10-3-2-4-11-17)16(20)19-13-15-7-5-14(6-8-15)9-12-18/h5-8H,2-4,9-13,18H2,1H3,(H,19,20).
What are the key properties of N-[[4-(2-aminoethyl)phenyl]methyl]-1-methylcyclohexane-1-carboxamide?
N-[[4-(2-aminoethyl)phenyl]methyl]-1-methylcyclohexane-1-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-aminoethyl)phenyl]methyl]-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 106827980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).