2-(ethylamino)-3-(2-ethyl-4-methyl-1,4-diazepan-1-yl)propanamide

C13H28N4O — CID 114087505

IUPAC2-(ethylamino)-3-(2-ethyl-4-methyl-1,4-diazepan-1-yl)propanamide
SMILESCCNC(CN1CCCN(C)CC1CC)C(N)=O
InChIInChI=1S/C13H28N4O/c1-4-11-9-16(3)7-6-8-17(11)10-12(13(14)18)15-5-2/h11-12,15H,4-10H2,1-3H3,(H2,14,18)
InChIKeyVZBMVKUYHQVGCQ-UHFFFAOYSA-N
MW256.39 g/mol
LogP-0.13
Rot. Bonds6

About 2-(ethylamino)-3-(2-ethyl-4-methyl-1,4-diazepan-1-yl)propanamide

2-(ethylamino)-3-(2-ethyl-4-methyl-1,4-diazepan-1-yl)propanamide (PubChem CID 114087505) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(ethylamino)-3-(2-ethyl-4-methyl-1,4-diazepan-1-yl)propanamide.

Molecular Properties

Compound Name2-(ethylamino)-3-(2-ethyl-4-methyl-1,4-diazepan-1-yl)propanamide
PubChem CID114087505
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name2-(ethylamino)-3-(2-ethyl-4-methyl-1,4-diazepan-1-yl)propanamide
SMILESCCNC(CN1CCCN(C)CC1CC)C(N)=O
InChIInChI=1S/C13H28N4O/c1-4-11-9-16(3)7-6-8-17(11)10-12(13(14)18)15-5-2/h11-12,15H,4-10H2,1-3H3,(H2,14,18)
InChIKeyVZBMVKUYHQVGCQ-UHFFFAOYSA-N
XLogP-0.13
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(ethylamino)-3-(2-ethyl-4-methyl-1,4-diazepan-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-(2-ethyl-4-methyl-1,4-diazepan-1-yl)propanamide?
The IUPAC name of 2-(ethylamino)-3-(2-ethyl-4-methyl-1,4-diazepan-1-yl)propanamide (CID 114087505) is 2-(ethylamino)-3-(2-ethyl-4-methyl-1,4-diazepan-1-yl)propanamide.
What is the SMILES notation for 2-(ethylamino)-3-(2-ethyl-4-methyl-1,4-diazepan-1-yl)propanamide?
The canonical SMILES for 2-(ethylamino)-3-(2-ethyl-4-methyl-1,4-diazepan-1-yl)propanamide is CCNC(CN1CCCN(C)CC1CC)C(N)=O.
What is the InChIKey of 2-(ethylamino)-3-(2-ethyl-4-methyl-1,4-diazepan-1-yl)propanamide?
The InChIKey is VZBMVKUYHQVGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-4-11-9-16(3)7-6-8-17(11)10-12(13(14)18)15-5-2/h11-12,15H,4-10H2,1-3H3,(H2,14,18).
What are the key properties of 2-(ethylamino)-3-(2-ethyl-4-methyl-1,4-diazepan-1-yl)propanamide?
2-(ethylamino)-3-(2-ethyl-4-methyl-1,4-diazepan-1-yl)propanamide has a molecular weight of 256.39 g/mol, XLogP of -0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-(2-ethyl-4-methyl-1,4-diazepan-1-yl)propanamide is sourced from PubChem (CID 114087505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).