3-amino-N-[(3-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide

C12H22N2O2 — CID 66005543

IUPAC3-amino-N-[(3-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCC2CC(O)C2)C1
InChIInChI=1S/C12H22N2O2/c13-10-3-1-2-9(6-10)12(16)14-7-8-4-11(15)5-8/h8-11,15H,1-7,13H2,(H,14,16)
InChIKeyDUPKUIHMOOXDAT-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.39
Rot. Bonds3

About 3-amino-N-[(3-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide

3-amino-N-[(3-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide (PubChem CID 66005543) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-amino-N-[(3-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
PubChem CID66005543
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-amino-N-[(3-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCC2CC(O)C2)C1
InChIInChI=1S/C12H22N2O2/c13-10-3-1-2-9(6-10)12(16)14-7-8-4-11(15)5-8/h8-11,15H,1-7,13H2,(H,14,16)
InChIKeyDUPKUIHMOOXDAT-UHFFFAOYSA-N
XLogP0.39
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide
CID 104530465
3-amino-N-[(4-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide
CID 106135746
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119687746
3-amino-N-(pyrrolidin-2-ylmethyl)cyclohexane-1-carboxamide
CID 122080350
3-amino-N-(thiolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 80584681
N-[(3-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 114146502
3-amino-N-cyclopropylcyclohexane-1-carboxamide
CID 18071393
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119854746
N-[(3-hydroxycyclobutyl)methyl]piperidine-4-carboxamide
CID 66006145
N-[(3-aminocyclobutyl)methyl]cyclopropanecarboxamide
CID 66004927
3-amino-N-butylcyclohexane-1-carboxamide
CID 62778073
3-amino-N-(4-aminobutyl)cyclohexane-1-carboxamide
CID 63046447

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[(3-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide (CID 66005543) is 3-amino-N-[(3-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[(3-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[(3-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide is NC1CCCC(C(=O)NCC2CC(O)C2)C1.
What is the InChIKey of 3-amino-N-[(3-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is DUPKUIHMOOXDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c13-10-3-1-2-9(6-10)12(16)14-7-8-4-11(15)5-8/h8-11,15H,1-7,13H2,(H,14,16).
What are the key properties of 3-amino-N-[(3-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide?
3-amino-N-[(3-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 66005543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).