1-(aminomethyl)-N-(2-oxoazepan-3-yl)cyclobutane-1-carboxamide

C12H21N3O2 — CID 115447574

IUPAC1-(aminomethyl)-N-(2-oxoazepan-3-yl)cyclobutane-1-carboxamide
SMILESNCC1(C(=O)NC2CCCCNC2=O)CCC1
InChIInChI=1S/C12H21N3O2/c13-8-12(5-3-6-12)11(17)15-9-4-1-2-7-14-10(9)16/h9H,1-8,13H2,(H,14,16)(H,15,17)
InChIKeyCRJXNQPFOTWGIV-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.10
Rot. Bonds3

About 1-(aminomethyl)-N-(2-oxoazepan-3-yl)cyclobutane-1-carboxamide

1-(aminomethyl)-N-(2-oxoazepan-3-yl)cyclobutane-1-carboxamide (PubChem CID 115447574) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-oxoazepan-3-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-oxoazepan-3-yl)cyclobutane-1-carboxamide
PubChem CID115447574
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-(aminomethyl)-N-(2-oxoazepan-3-yl)cyclobutane-1-carboxamide
SMILESNCC1(C(=O)NC2CCCCNC2=O)CCC1
InChIInChI=1S/C12H21N3O2/c13-8-12(5-3-6-12)11(17)15-9-4-1-2-7-14-10(9)16/h9H,1-8,13H2,(H,14,16)(H,15,17)
InChIKeyCRJXNQPFOTWGIV-UHFFFAOYSA-N
XLogP-0.10
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(2-oxoazepan-3-yl)oxane-4-carboxamide
CID 115439051
1-amino-N-(2-oxoazepan-3-yl)cyclohexane-1-carboxamide
CID 43704094
N-(2-oxoazepan-3-yl)-3-propylpyrrolidine-3-carboxamide
CID 55164946
1-amino-N-(2-oxopiperidin-3-yl)cyclopropane-1-carboxamide
CID 65466237
1-amino-N-(2-oxopiperidin-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119307987
6-amino-N-(2-oxoazepan-3-yl)hexanamide
CID 43704092
N-[(3S)-2-oxoazepan-3-yl]-1-phenylcyclobutane-1-carboxamide
CID 94660208
(2-oxoazepan-3-yl)carbamic acid
CID 18612606
3-amino-2-hydroxy-N-[(3R)-2-oxoazepan-3-yl]propanamide
CID 134570387
3-amino-2,2-dimethyl-N-(2-oxoazepan-3-yl)propanamide
CID 81490080
4-methoxy-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide
CID 119708546
ethyl N-[(3R)-2-oxoazepan-3-yl]carbamate
CID 10821898

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-oxoazepan-3-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2-oxoazepan-3-yl)cyclobutane-1-carboxamide (CID 115447574) is 1-(aminomethyl)-N-(2-oxoazepan-3-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2-oxoazepan-3-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2-oxoazepan-3-yl)cyclobutane-1-carboxamide is NCC1(C(=O)NC2CCCCNC2=O)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-oxoazepan-3-yl)cyclobutane-1-carboxamide?
The InChIKey is CRJXNQPFOTWGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c13-8-12(5-3-6-12)11(17)15-9-4-1-2-7-14-10(9)16/h9H,1-8,13H2,(H,14,16)(H,15,17).
What are the key properties of 1-(aminomethyl)-N-(2-oxoazepan-3-yl)cyclobutane-1-carboxamide?
1-(aminomethyl)-N-(2-oxoazepan-3-yl)cyclobutane-1-carboxamide has a molecular weight of 239.32 g/mol, XLogP of -0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-oxoazepan-3-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 115447574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).