ethane;N'-[(1Z)-2-ethylbuta-1,3-dienyl]-2-methyl-N,N-dipropylbutanimidamide

C19H38N2 — CID 142121541

IUPACethane;N'-[(1Z)-2-ethylbuta-1,3-dienyl]-2-methyl-N,N-dipropylbutanimidamide
SMILESC=C/C(=C\N=C(/C(C)CC)N(CCC)CCC)CC.CC
InChIInChI=1S/C17H32N2.C2H6/c1-7-12-19(13-8-2)17(15(6)9-3)18-14-16(10-4)11-5;1-2/h10,14-15H,4,7-9,11-13H2,1-3,5-6H3;1-2H3/b16-14+,18-17+;
InChIKeyWUGGKOCVOGJXKL-VDWRAFQUSA-N
MW294.53 g/mol
LogP6.06
Rot. Bonds9

About ethane;N'-[(1Z)-2-ethylbuta-1,3-dienyl]-2-methyl-N,N-dipropylbutanimidamide

ethane;N'-[(1Z)-2-ethylbuta-1,3-dienyl]-2-methyl-N,N-dipropylbutanimidamide (PubChem CID 142121541) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is ethane;N'-[(1Z)-2-ethylbuta-1,3-dienyl]-2-methyl-N,N-dipropylbutanimidamide.

Molecular Properties

Compound Nameethane;N'-[(1Z)-2-ethylbuta-1,3-dienyl]-2-methyl-N,N-dipropylbutanimidamide
PubChem CID142121541
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Nameethane;N'-[(1Z)-2-ethylbuta-1,3-dienyl]-2-methyl-N,N-dipropylbutanimidamide
SMILESC=C/C(=C\N=C(/C(C)CC)N(CCC)CCC)CC.CC
InChIInChI=1S/C17H32N2.C2H6/c1-7-12-19(13-8-2)17(15(6)9-3)18-14-16(10-4)11-5;1-2/h10,14-15H,4,7-9,11-13H2,1-3,5-6H3;1-2H3/b16-14+,18-17+;
InChIKeyWUGGKOCVOGJXKL-VDWRAFQUSA-N
XLogP6.06
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.53
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze ethane;N'-[(1Z)-2-ethylbuta-1,3-dienyl]-2-methyl-N,N-dipropylbutanimidamide 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

N-butyl-3-methyl-N-propyl-3,4-dihydropyridin-2-amine
CID 123537710
N-methyl-N-(3-methylbutyl)-N'-[(E)-2-methylpent-1-enyl]ethanimidamide
CID 131999138
2-methyl-N-[(1E)-2-methylbuta-1,3-dienyl]-1-(4-methylpiperazin-1-yl)butan-1-imine
CID 135234672
N,4-dimethyl-1-propan-2-yl-3,4-dihydropyridin-2-imine;ethane
CID 142616651
N,4-dimethyl-1-propan-2-yl-3,4-dihydropyridin-2-imine
CID 142616652
N-(3,4-dimethylpent-4-enyl)-N-methyl-N'-[(Z)-prop-1-enyl]ethanimidamide
CID 143071579
ethane;N-ethyl-1,4-dimethyl-3,4-dihydropyridin-2-imine
CID 163400517
3-methyl-2-methylidene-N'-[(Z)-3-methylpent-1-enyl]-N-(3-methylpentyl)-N-propylpentanimidamide
CID 170274072
N'-[(1Z)-2-ethylbuta-1,3-dienyl]-2-methyl-N,N-dipropylbutanimidamide
CID 142121542
N-ethyl-1,4-dimethyl-3,4-dihydropyridin-2-imine
CID 163400518

Frequently Asked Questions

What is the IUPAC name of ethane;N'-[(1Z)-2-ethylbuta-1,3-dienyl]-2-methyl-N,N-dipropylbutanimidamide?
The IUPAC name of ethane;N'-[(1Z)-2-ethylbuta-1,3-dienyl]-2-methyl-N,N-dipropylbutanimidamide (CID 142121541) is ethane;N'-[(1Z)-2-ethylbuta-1,3-dienyl]-2-methyl-N,N-dipropylbutanimidamide.
What is the SMILES notation for ethane;N'-[(1Z)-2-ethylbuta-1,3-dienyl]-2-methyl-N,N-dipropylbutanimidamide?
The canonical SMILES for ethane;N'-[(1Z)-2-ethylbuta-1,3-dienyl]-2-methyl-N,N-dipropylbutanimidamide is C=C/C(=C\N=C(/C(C)CC)N(CCC)CCC)CC.CC.
What is the InChIKey of ethane;N'-[(1Z)-2-ethylbuta-1,3-dienyl]-2-methyl-N,N-dipropylbutanimidamide?
The InChIKey is WUGGKOCVOGJXKL-VDWRAFQUSA-N. The full InChI is InChI=1S/C17H32N2.C2H6/c1-7-12-19(13-8-2)17(15(6)9-3)18-14-16(10-4)11-5;1-2/h10,14-15H,4,7-9,11-13H2,1-3,5-6H3;1-2H3/b16-14+,18-17+;.
What are the key properties of ethane;N'-[(1Z)-2-ethylbuta-1,3-dienyl]-2-methyl-N,N-dipropylbutanimidamide?
ethane;N'-[(1Z)-2-ethylbuta-1,3-dienyl]-2-methyl-N,N-dipropylbutanimidamide has a molecular weight of 294.53 g/mol, XLogP of 6.06, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-[(1Z)-2-ethylbuta-1,3-dienyl]-2-methyl-N,N-dipropylbutanimidamide is sourced from PubChem (CID 142121541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).