N-(3-amino-2,2-dimethylpropyl)azepane-1-carboxamide

C12H25N3O — CID 115365844

IUPACN-(3-amino-2,2-dimethylpropyl)azepane-1-carboxamide
SMILESCC(C)(CN)CNC(=O)N1CCCCCC1
InChIInChI=1S/C12H25N3O/c1-12(2,9-13)10-14-11(16)15-7-5-3-4-6-8-15/h3-10,13H2,1-2H3,(H,14,16)
InChIKeyARLFTOFWJRERHA-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.56
Rot. Bonds3

About N-(3-amino-2,2-dimethylpropyl)azepane-1-carboxamide

N-(3-amino-2,2-dimethylpropyl)azepane-1-carboxamide (PubChem CID 115365844) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)azepane-1-carboxamide
PubChem CID115365844
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-(3-amino-2,2-dimethylpropyl)azepane-1-carboxamide
SMILESCC(C)(CN)CNC(=O)N1CCCCCC1
InChIInChI=1S/C12H25N3O/c1-12(2,9-13)10-14-11(16)15-7-5-3-4-6-8-15/h3-10,13H2,1-2H3,(H,14,16)
InChIKeyARLFTOFWJRERHA-UHFFFAOYSA-N
XLogP1.56
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 103713759
N-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide
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N-(2-hydroxy-2-methylpropyl)pyrrolidine-1-carboxamide
CID 78951144
N-(2-methyl-2-methylsulfonylpropyl)piperidine-1-carboxamide
CID 115675126
3-(azepane-1-carbonylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173450
N-[(piperidine-1-carbonylamino)methyl]piperidine-1-carboxamide
CID 59031008
N-(3-amino-2,2-dimethylpropyl)cyclohexanecarboxamide
CID 115365726
N-(2,3,3-trimethylbutyl)pyrrolidine-1-carboxamide
CID 115629639
N-(5-amino-2,2-dimethylpentyl)morpholine-4-carboxamide
CID 106141337
N-(2-amino-4,4-dimethylpentyl)pyrrolidine-1-carboxamide
CID 107158894
N-(2,2,3,3-tetrafluoropropyl)azepane-1-carboxamide
CID 106291080
N-(2-oxopropyl)azepane-1-carboxamide
CID 79152815

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)azepane-1-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)azepane-1-carboxamide (CID 115365844) is N-(3-amino-2,2-dimethylpropyl)azepane-1-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)azepane-1-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)azepane-1-carboxamide is CC(C)(CN)CNC(=O)N1CCCCCC1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)azepane-1-carboxamide?
The InChIKey is ARLFTOFWJRERHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-12(2,9-13)10-14-11(16)15-7-5-3-4-6-8-15/h3-10,13H2,1-2H3,(H,14,16).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)azepane-1-carboxamide?
N-(3-amino-2,2-dimethylpropyl)azepane-1-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)azepane-1-carboxamide is sourced from PubChem (CID 115365844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).