1-(aminomethyl)-N-(4-hydroxyphenyl)cyclohexane-1-carboxamide

C14H20N2O2 — CID 115437412

IUPAC1-(aminomethyl)-N-(4-hydroxyphenyl)cyclohexane-1-carboxamide
SMILESNCC1(C(=O)Nc2ccc(O)cc2)CCCCC1
InChIInChI=1S/C14H20N2O2/c15-10-14(8-2-1-3-9-14)13(18)16-11-4-6-12(17)7-5-11/h4-7,17H,1-3,8-10,15H2,(H,16,18)
InChIKeyQXEHXPKPZILGJX-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.24
Rot. Bonds3

About 1-(aminomethyl)-N-(4-hydroxyphenyl)cyclohexane-1-carboxamide

1-(aminomethyl)-N-(4-hydroxyphenyl)cyclohexane-1-carboxamide (PubChem CID 115437412) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(4-hydroxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(4-hydroxyphenyl)cyclohexane-1-carboxamide
PubChem CID115437412
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(aminomethyl)-N-(4-hydroxyphenyl)cyclohexane-1-carboxamide
SMILESNCC1(C(=O)Nc2ccc(O)cc2)CCCCC1
InChIInChI=1S/C14H20N2O2/c15-10-14(8-2-1-3-9-14)13(18)16-11-4-6-12(17)7-5-11/h4-7,17H,1-3,8-10,15H2,(H,16,18)
InChIKeyQXEHXPKPZILGJX-UHFFFAOYSA-N
XLogP2.24
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-(aminomethyl)-N-[4-(carbamoylamino)phenyl]cyclohexane-1-carboxamide
CID 115437417
1-(aminomethyl)-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670345
1-(aminomethyl)-N-(4-bromo-3-fluorophenyl)cycloheptane-1-carboxamide
CID 115444172
1-(aminomethyl)-N-(4-methylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119694256
1-(aminomethyl)-N-[4-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119700920
1-(aminomethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide
CID 80587391
1-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxamide
CID 115448437
1-(aminomethyl)-N-[4-(triazol-2-yl)phenyl]cyclopentane-1-carboxamide
CID 81485494
1-(aminomethyl)-N-(3-fluoro-4-hydroxyphenyl)cyclobutane-1-carboxamide
CID 113311717
1-(aminomethyl)-N-(3-iodo-4-methylphenyl)cyclohexane-1-carboxamide
CID 115437382
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-tert-butylbenzamide
CID 119703087
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-5-hydroxybenzoic acid
CID 115435207

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(4-hydroxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(4-hydroxyphenyl)cyclohexane-1-carboxamide (CID 115437412) is 1-(aminomethyl)-N-(4-hydroxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(4-hydroxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(4-hydroxyphenyl)cyclohexane-1-carboxamide is NCC1(C(=O)Nc2ccc(O)cc2)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(4-hydroxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is QXEHXPKPZILGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-10-14(8-2-1-3-9-14)13(18)16-11-4-6-12(17)7-5-11/h4-7,17H,1-3,8-10,15H2,(H,16,18).
What are the key properties of 1-(aminomethyl)-N-(4-hydroxyphenyl)cyclohexane-1-carboxamide?
1-(aminomethyl)-N-(4-hydroxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(4-hydroxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115437412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).