N-[3-(dimethylamino)propyl]-4-ethyl-6-(ethylideneamino)hex-5-enamide

C15H29N3O — CID 91167570

IUPACN-[3-(dimethylamino)propyl]-4-ethyl-6-(ethylideneamino)hex-5-enamide
SMILESC/C=N/C=CC(CC)CCC(=O)NCCCN(C)C
InChIInChI=1S/C15H29N3O/c1-5-14(10-12-16-6-2)8-9-15(19)17-11-7-13-18(3)4/h6,10,12,14H,5,7-9,11,13H2,1-4H3,(H,17,19)/b12-10?,16-6+
InChIKeyKNCWJXRTSBVENN-CNNMFMFVSA-N
MW267.42 g/mol
LogP2.47
Rot. Bonds10

About N-[3-(dimethylamino)propyl]-4-ethyl-6-(ethylideneamino)hex-5-enamide

N-[3-(dimethylamino)propyl]-4-ethyl-6-(ethylideneamino)hex-5-enamide (PubChem CID 91167570) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-ethyl-6-(ethylideneamino)hex-5-enamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-ethyl-6-(ethylideneamino)hex-5-enamide
PubChem CID91167570
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-[3-(dimethylamino)propyl]-4-ethyl-6-(ethylideneamino)hex-5-enamide
SMILESC/C=N/C=CC(CC)CCC(=O)NCCCN(C)C
InChIInChI=1S/C15H29N3O/c1-5-14(10-12-16-6-2)8-9-15(19)17-11-7-13-18(3)4/h6,10,12,14H,5,7-9,11,13H2,1-4H3,(H,17,19)/b12-10?,16-6+
InChIKeyKNCWJXRTSBVENN-CNNMFMFVSA-N
XLogP2.47
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[3-(dimethylamino)propyl]-4-ethyl-6-(ethylideneamino)hex-5-enamide 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

3-(4,5-dihydro-3H-azepin-5-yl)-N-[3-(dimethylamino)propyl]propanamide
CID 90705990
N-(3,4-dihydropyridin-4-ylmethyl)-2,2-dimethylhexanamide
CID 134570627
N-[(Z)-2-aminoethenyl]-2-(3,4-dihydropyridin-4-yl)-N-ethenylpropanamide
CID 142047983
molecular hydrogen;N-[3-(3H-pyrrol-3-yl)propyl]propanamide
CID 142069991
N-[3-(3H-pyrrol-3-yl)propyl]propanamide
CID 142069992

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-ethyl-6-(ethylideneamino)hex-5-enamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-ethyl-6-(ethylideneamino)hex-5-enamide (CID 91167570) is N-[3-(dimethylamino)propyl]-4-ethyl-6-(ethylideneamino)hex-5-enamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-ethyl-6-(ethylideneamino)hex-5-enamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-ethyl-6-(ethylideneamino)hex-5-enamide is C/C=N/C=CC(CC)CCC(=O)NCCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-ethyl-6-(ethylideneamino)hex-5-enamide?
The InChIKey is KNCWJXRTSBVENN-CNNMFMFVSA-N. The full InChI is InChI=1S/C15H29N3O/c1-5-14(10-12-16-6-2)8-9-15(19)17-11-7-13-18(3)4/h6,10,12,14H,5,7-9,11,13H2,1-4H3,(H,17,19)/b12-10?,16-6+.
What are the key properties of N-[3-(dimethylamino)propyl]-4-ethyl-6-(ethylideneamino)hex-5-enamide?
N-[3-(dimethylamino)propyl]-4-ethyl-6-(ethylideneamino)hex-5-enamide has a molecular weight of 267.42 g/mol, XLogP of 2.47, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-ethyl-6-(ethylideneamino)hex-5-enamide is sourced from PubChem (CID 91167570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).