N-(3-amino-2-methylpropyl)-N-methylazepane-1-carboxamide

C12H25N3O — CID 79152799

IUPACN-(3-amino-2-methylpropyl)-N-methylazepane-1-carboxamide
SMILESCC(CN)CN(C)C(=O)N1CCCCCC1
InChIInChI=1S/C12H25N3O/c1-11(9-13)10-14(2)12(16)15-7-5-3-4-6-8-15/h11H,3-10,13H2,1-2H3
InChIKeyLGDCXMCCIAJTDM-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.51
Rot. Bonds3

About N-(3-amino-2-methylpropyl)-N-methylazepane-1-carboxamide

N-(3-amino-2-methylpropyl)-N-methylazepane-1-carboxamide (PubChem CID 79152799) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-N-methylazepane-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-N-methylazepane-1-carboxamide
PubChem CID79152799
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-(3-amino-2-methylpropyl)-N-methylazepane-1-carboxamide
SMILESCC(CN)CN(C)C(=O)N1CCCCCC1
InChIInChI=1S/C12H25N3O/c1-11(9-13)10-14(2)12(16)15-7-5-3-4-6-8-15/h11H,3-10,13H2,1-2H3
InChIKeyLGDCXMCCIAJTDM-UHFFFAOYSA-N
XLogP1.51
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-N-methylpiperidine-1-carboxamide
CID 79155525
N-(1-aminopropan-2-yl)-N-methylazepane-1-carboxamide
CID 79152627
N-(3-aminopropyl)-N-methylpyrrolidine-1-carboxamide
CID 79160813
2-[(3-amino-2-methylpropyl)-ethylamino]-1-(azepan-1-yl)propan-1-one
CID 54987810
N-(2-cyanopropyl)-N-methylpyrrolidine-1-carboxamide
CID 78969862
N-(5-aminopentyl)-N-methylpiperidine-1-carboxamide
CID 107206810
4-(3-amino-2-methylpropyl)-N-ethyl-N-methyl-1,4-diazepane-1-carboxamide
CID 79159522
N-(2-hydroxyethyl)-N-methylpiperidine-1-carboxamide
CID 68606002
4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 81070855
N-(2-amino-2-sulfanylideneethyl)-N-methylpiperidine-1-carboxamide
CID 79155630
N-(3-amino-2,2-dimethylpropyl)-N-methylpyrrolidine-1-carboxamide
CID 79652128
4-amino-3-(dimethylamino)-1-piperidin-1-ylbutan-1-one
CID 66430292

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-N-methylazepane-1-carboxamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-N-methylazepane-1-carboxamide (CID 79152799) is N-(3-amino-2-methylpropyl)-N-methylazepane-1-carboxamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-N-methylazepane-1-carboxamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-N-methylazepane-1-carboxamide is CC(CN)CN(C)C(=O)N1CCCCCC1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-N-methylazepane-1-carboxamide?
The InChIKey is LGDCXMCCIAJTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-11(9-13)10-14(2)12(16)15-7-5-3-4-6-8-15/h11H,3-10,13H2,1-2H3.
What are the key properties of N-(3-amino-2-methylpropyl)-N-methylazepane-1-carboxamide?
N-(3-amino-2-methylpropyl)-N-methylazepane-1-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-N-methylazepane-1-carboxamide is sourced from PubChem (CID 79152799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).