3-(4,5-dihydro-3H-azepin-5-yl)-N-[3-(dimethylamino)propyl]propanamide

C14H25N3O — CID 90705990

IUPAC3-(4,5-dihydro-3H-azepin-5-yl)-N-[3-(dimethylamino)propyl]propanamide
SMILESCN(C)CCCNC(=O)CCC1C=CN=CCC1
InChIInChI=1S/C14H25N3O/c1-17(2)12-4-10-16-14(18)7-6-13-5-3-9-15-11-8-13/h8-9,11,13H,3-7,10,12H2,1-2H3,(H,16,18)
InChIKeyBJRJPYOBJALXKG-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.83
Rot. Bonds7

About 3-(4,5-dihydro-3H-azepin-5-yl)-N-[3-(dimethylamino)propyl]propanamide

3-(4,5-dihydro-3H-azepin-5-yl)-N-[3-(dimethylamino)propyl]propanamide (PubChem CID 90705990) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-(4,5-dihydro-3H-azepin-5-yl)-N-[3-(dimethylamino)propyl]propanamide.

Molecular Properties

Compound Name3-(4,5-dihydro-3H-azepin-5-yl)-N-[3-(dimethylamino)propyl]propanamide
PubChem CID90705990
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-(4,5-dihydro-3H-azepin-5-yl)-N-[3-(dimethylamino)propyl]propanamide
SMILESCN(C)CCCNC(=O)CCC1C=CN=CCC1
InChIInChI=1S/C14H25N3O/c1-17(2)12-4-10-16-14(18)7-6-13-5-3-9-15-11-8-13/h8-9,11,13H,3-7,10,12H2,1-2H3,(H,16,18)
InChIKeyBJRJPYOBJALXKG-UHFFFAOYSA-N
XLogP1.83
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(4,5-dihydro-3H-azepin-5-yl)-N-[3-(dimethylamino)propyl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

13-cyclopent-2-en-1-yl-N-[3-(dimethylamino)propyl]tridecanamide
CID 77488595
CID 43558595
CID 43558595
3-(cycloheptylamino)-N-[3-(dimethylamino)propyl]propanamide
CID 109016915
N-[3-(dimethylamino)propyl]-3-(1,1-dioxothiolan-3-yl)propanamide
CID 110300491
N-[3-(dimethylamino)propyl]-3-pyrrol-1-ylpropanamide
CID 110688672
N'-[3-(dimethylamino)propyl]hexanediamide
CID 174324158
N'-cyclopropyl-N-[3-(dimethylamino)propyl]propanediamide
CID 108940978
N-[3-(dimethylamino)propyl]-3-(methyldisulfanyl)propanamide
CID 89390385
N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79002121
4-N-[2-(dimethylamino)ethyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147025
10-[3-(dimethylamino)propylamino]-10-oxodecanoic acid
CID 51038580
N-[3-(dimethylamino)propyl]nonanamide
CID 3395805

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-3H-azepin-5-yl)-N-[3-(dimethylamino)propyl]propanamide?
The IUPAC name of 3-(4,5-dihydro-3H-azepin-5-yl)-N-[3-(dimethylamino)propyl]propanamide (CID 90705990) is 3-(4,5-dihydro-3H-azepin-5-yl)-N-[3-(dimethylamino)propyl]propanamide.
What is the SMILES notation for 3-(4,5-dihydro-3H-azepin-5-yl)-N-[3-(dimethylamino)propyl]propanamide?
The canonical SMILES for 3-(4,5-dihydro-3H-azepin-5-yl)-N-[3-(dimethylamino)propyl]propanamide is CN(C)CCCNC(=O)CCC1C=CN=CCC1.
What is the InChIKey of 3-(4,5-dihydro-3H-azepin-5-yl)-N-[3-(dimethylamino)propyl]propanamide?
The InChIKey is BJRJPYOBJALXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-17(2)12-4-10-16-14(18)7-6-13-5-3-9-15-11-8-13/h8-9,11,13H,3-7,10,12H2,1-2H3,(H,16,18).
What are the key properties of 3-(4,5-dihydro-3H-azepin-5-yl)-N-[3-(dimethylamino)propyl]propanamide?
3-(4,5-dihydro-3H-azepin-5-yl)-N-[3-(dimethylamino)propyl]propanamide has a molecular weight of 251.37 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-3H-azepin-5-yl)-N-[3-(dimethylamino)propyl]propanamide is sourced from PubChem (CID 90705990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).