N-methyl-2-(2-methyl-1,4-diazepan-1-yl)propanamide

C10H21N3O — CID 127006822

IUPACN-methyl-2-(2-methyl-1,4-diazepan-1-yl)propanamide
SMILESCNC(=O)C(C)N1CCCNCC1C
InChIInChI=1S/C10H21N3O/c1-8-7-12-5-4-6-13(8)9(2)10(14)11-3/h8-9,12H,4-7H2,1-3H3,(H,11,14)
InChIKeyYGEAMQKJGAXNHC-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.20
Rot. Bonds2

About N-methyl-2-(2-methyl-1,4-diazepan-1-yl)propanamide

N-methyl-2-(2-methyl-1,4-diazepan-1-yl)propanamide (PubChem CID 127006822) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is N-methyl-2-(2-methyl-1,4-diazepan-1-yl)propanamide.

Molecular Properties

Compound NameN-methyl-2-(2-methyl-1,4-diazepan-1-yl)propanamide
PubChem CID127006822
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC NameN-methyl-2-(2-methyl-1,4-diazepan-1-yl)propanamide
SMILESCNC(=O)C(C)N1CCCNCC1C
InChIInChI=1S/C10H21N3O/c1-8-7-12-5-4-6-13(8)9(2)10(14)11-3/h8-9,12H,4-7H2,1-3H3,(H,11,14)
InChIKeyYGEAMQKJGAXNHC-UHFFFAOYSA-N
XLogP-0.20
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methyl-1,4-diazepan-1-yl)propanamide?
The IUPAC name of N-methyl-2-(2-methyl-1,4-diazepan-1-yl)propanamide (CID 127006822) is N-methyl-2-(2-methyl-1,4-diazepan-1-yl)propanamide.
What is the SMILES notation for N-methyl-2-(2-methyl-1,4-diazepan-1-yl)propanamide?
The canonical SMILES for N-methyl-2-(2-methyl-1,4-diazepan-1-yl)propanamide is CNC(=O)C(C)N1CCCNCC1C.
What is the InChIKey of N-methyl-2-(2-methyl-1,4-diazepan-1-yl)propanamide?
The InChIKey is YGEAMQKJGAXNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8-7-12-5-4-6-13(8)9(2)10(14)11-3/h8-9,12H,4-7H2,1-3H3,(H,11,14).
What are the key properties of N-methyl-2-(2-methyl-1,4-diazepan-1-yl)propanamide?
N-methyl-2-(2-methyl-1,4-diazepan-1-yl)propanamide has a molecular weight of 199.30 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methyl-1,4-diazepan-1-yl)propanamide is sourced from PubChem (CID 127006822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).