1-(aminomethyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylcyclobutane-1-carboxamide

C12H22N2O2 — CID 80598806

IUPAC1-(aminomethyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylcyclobutane-1-carboxamide
SMILESCN(CC1CC(O)C1)C(=O)C1(CN)CCC1
InChIInChI=1S/C12H22N2O2/c1-14(7-9-5-10(15)6-9)11(16)12(8-13)3-2-4-12/h9-10,15H,2-8,13H2,1H3
InChIKeySWHULCLBACZHFA-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.34
Rot. Bonds4

About 1-(aminomethyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylcyclobutane-1-carboxamide

1-(aminomethyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylcyclobutane-1-carboxamide (PubChem CID 80598806) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylcyclobutane-1-carboxamide
PubChem CID80598806
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(aminomethyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylcyclobutane-1-carboxamide
SMILESCN(CC1CC(O)C1)C(=O)C1(CN)CCC1
InChIInChI=1S/C12H22N2O2/c1-14(7-9-5-10(15)6-9)11(16)12(8-13)3-2-4-12/h9-10,15H,2-8,13H2,1H3
InChIKeySWHULCLBACZHFA-UHFFFAOYSA-N
XLogP0.34
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(aminomethyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylcyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(aminomethyl)-N-(cyclopentylmethyl)-N-methylcyclopropane-1-carboxamide
CID 80598771
1-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide
CID 63236819
1-(aminomethyl)-N-(2-cyclopentylethyl)-N-methylcyclobutane-1-carboxamide
CID 115183587
1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide
CID 63713295
N-[(3-bromocyclobutyl)methyl]-1-ethyl-N-methylcyclopentane-1-carboxamide
CID 80672991
N-[(3-hydroxycyclobutyl)methyl]-N,2-dimethylpiperidine-2-carboxamide
CID 104596944
1-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-methylcyclopentane-1-carboxamide
CID 63695176
1-(aminomethyl)-N,N-dimethylcyclopentane-1-carboxamide
CID 54593229
1-(aminomethyl)-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]cyclohexane-1-carboxamide
CID 113310523
2-cyclobutyl-N-[(3-hydroxycyclobutyl)methyl]-N-methylacetamide
CID 102737604
1-(aminomethyl)-N-(2-cyanoethyl)-N-methylcyclopentane-1-carboxamide
CID 115434739
1-(aminomethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylcyclobutane-1-carboxamide
CID 80587918

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylcyclobutane-1-carboxamide (CID 80598806) is 1-(aminomethyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylcyclobutane-1-carboxamide is CN(CC1CC(O)C1)C(=O)C1(CN)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylcyclobutane-1-carboxamide?
The InChIKey is SWHULCLBACZHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-14(7-9-5-10(15)6-9)11(16)12(8-13)3-2-4-12/h9-10,15H,2-8,13H2,1H3.
What are the key properties of 1-(aminomethyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylcyclobutane-1-carboxamide?
1-(aminomethyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylcyclobutane-1-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 80598806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).