1-amino-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide

C11H20N2O2 — CID 81168701

IUPAC1-amino-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide
SMILESNC1(C(=O)NCC2CCOCC2)CCC1
InChIInChI=1S/C11H20N2O2/c12-11(4-1-5-11)10(14)13-8-9-2-6-15-7-3-9/h9H,1-8,12H2,(H,13,14)
InChIKeyKMOTVZRWBVATOQ-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.41
Rot. Bonds3

About 1-amino-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide

1-amino-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide (PubChem CID 81168701) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-amino-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide
PubChem CID81168701
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-amino-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide
SMILESNC1(C(=O)NCC2CCOCC2)CCC1
InChIInChI=1S/C11H20N2O2/c12-11(4-1-5-11)10(14)13-8-9-2-6-15-7-3-9/h9H,1-8,12H2,(H,13,14)
InChIKeyKMOTVZRWBVATOQ-UHFFFAOYSA-N
XLogP0.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide
CID 63706981
1-amino-N-[(4-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide
CID 106135620
1-amino-N-(cyclopentylmethyl)cyclopropane-1-carboxamide
CID 65463779
1-amino-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide
CID 119290205
1-amino-3-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 64551479
4-methyl-N-(oxan-4-ylmethyl)oxane-4-carboxamide
CID 171672707
1-amino-N-[(4-ethylcyclohexyl)methyl]cyclopentane-1-carboxamide
CID 54880967
1-amino-N-[3-(oxan-4-ylmethoxy)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119332937
1-amino-N-[2-(oxan-4-yl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119724786
1-amino-N-[3-(oxan-4-ylmethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119332945
4-(N'-hydroxycarbamimidoyl)-N-(oxan-4-ylmethyl)oxane-4-carboxamide
CID 76951306
1-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119866892

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide (CID 81168701) is 1-amino-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide is NC1(C(=O)NCC2CCOCC2)CCC1.
What is the InChIKey of 1-amino-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide?
The InChIKey is KMOTVZRWBVATOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c12-11(4-1-5-11)10(14)13-8-9-2-6-15-7-3-9/h9H,1-8,12H2,(H,13,14).
What are the key properties of 1-amino-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide?
1-amino-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide has a molecular weight of 212.29 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 81168701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).