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

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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).