N-[2-methyl-3-(methylamino)propyl]azepane-1-carboxamide

C12H25N3O — CID 115302691

IUPACN-[2-methyl-3-(methylamino)propyl]azepane-1-carboxamide
SMILESCNCC(C)CNC(=O)N1CCCCCC1
InChIInChI=1S/C12H25N3O/c1-11(9-13-2)10-14-12(16)15-7-5-3-4-6-8-15/h11,13H,3-10H2,1-2H3,(H,14,16)
InChIKeyLJPUTQQSFWAMBD-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.43
Rot. Bonds4

About N-[2-methyl-3-(methylamino)propyl]azepane-1-carboxamide

N-[2-methyl-3-(methylamino)propyl]azepane-1-carboxamide (PubChem CID 115302691) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[2-methyl-3-(methylamino)propyl]azepane-1-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-(methylamino)propyl]azepane-1-carboxamide
PubChem CID115302691
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-[2-methyl-3-(methylamino)propyl]azepane-1-carboxamide
SMILESCNCC(C)CNC(=O)N1CCCCCC1
InChIInChI=1S/C12H25N3O/c1-11(9-13-2)10-14-12(16)15-7-5-3-4-6-8-15/h11,13H,3-10H2,1-2H3,(H,14,16)
InChIKeyLJPUTQQSFWAMBD-UHFFFAOYSA-N
XLogP1.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-5-(piperidine-1-carbonylamino)pentanoic acid
CID 82682716
N-[2-(methylamino)propyl]pyrrolidine-1-carboxamide
CID 103512851
3-(azocane-1-carbonylamino)-2-methylpropanoic acid
CID 62669756
3-(azepane-1-carbonylamino)-2-methylpropanoic acid
CID 62671321
N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]azepane-1-carboxamide
CID 96520406
N-(2-methylsulfinylpropyl)pyrrolidine-1-carboxamide
CID 115763587
N-[2-(dimethylamino)propyl]piperidine-1-carboxamide
CID 115581577
N-(2-methylsulfanylpropyl)piperidine-1-carboxamide
CID 115760436
(2S)-3-(azocane-1-carbonylamino)-2-hydroxypropanoic acid
CID 107838219
3-(azocane-1-carbonylamino)-2-hydroxypropanoic acid
CID 66165088
N-[(piperidine-1-carbonylamino)methyl]piperidine-1-carboxamide
CID 59031008
N-(2-amino-3-hydroxybutyl)piperidine-1-carboxamide
CID 79154941

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(methylamino)propyl]azepane-1-carboxamide?
The IUPAC name of N-[2-methyl-3-(methylamino)propyl]azepane-1-carboxamide (CID 115302691) is N-[2-methyl-3-(methylamino)propyl]azepane-1-carboxamide.
What is the SMILES notation for N-[2-methyl-3-(methylamino)propyl]azepane-1-carboxamide?
The canonical SMILES for N-[2-methyl-3-(methylamino)propyl]azepane-1-carboxamide is CNCC(C)CNC(=O)N1CCCCCC1.
What is the InChIKey of N-[2-methyl-3-(methylamino)propyl]azepane-1-carboxamide?
The InChIKey is LJPUTQQSFWAMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-11(9-13-2)10-14-12(16)15-7-5-3-4-6-8-15/h11,13H,3-10H2,1-2H3,(H,14,16).
What are the key properties of N-[2-methyl-3-(methylamino)propyl]azepane-1-carboxamide?
N-[2-methyl-3-(methylamino)propyl]azepane-1-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(methylamino)propyl]azepane-1-carboxamide is sourced from PubChem (CID 115302691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).