ethane;formaldehyde;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylindol-3-amine

C19H26N2O — CID 142897882

IUPACethane;formaldehyde;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylindol-3-amine
SMILESC=C/C=C(\C=C/C)Nc1cn(C)c2ccccc12.C=O.CC
InChIInChI=1S/C16H18N2.C2H6.CH2O/c1-4-8-13(9-5-2)17-15-12-18(3)16-11-7-6-10-14(15)16;2*1-2/h4-12,17H,1H2,2-3H3;1-2H3;1H2/b9-5-,13-8+;;
InChIKeyLALFQHNBCFQOOR-LHQUIDTKSA-N
MW298.43 g/mol
LogP5.08
Rot. Bonds4

About ethane;formaldehyde;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylindol-3-amine

ethane;formaldehyde;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylindol-3-amine (PubChem CID 142897882) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is ethane;formaldehyde;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylindol-3-amine.

Molecular Properties

Compound Nameethane;formaldehyde;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylindol-3-amine
PubChem CID142897882
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Nameethane;formaldehyde;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylindol-3-amine
SMILESC=C/C=C(\C=C/C)Nc1cn(C)c2ccccc12.C=O.CC
InChIInChI=1S/C16H18N2.C2H6.CH2O/c1-4-8-13(9-5-2)17-15-12-18(3)16-11-7-6-10-14(15)16;2*1-2/h4-12,17H,1H2,2-3H3;1-2H3;1H2/b9-5-,13-8+;;
InChIKeyLALFQHNBCFQOOR-LHQUIDTKSA-N
XLogP5.08
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;formaldehyde;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylindol-3-amine 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-amino-2-methyl-N-(1-methylindol-3-yl)propanamide
CID 115153480
1-amino-2-fluoro-4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]anthracene-9,10-dione
CID 143760672
3-(1-methylindol-3-yl)-1,1-dipropylurea
CID 40519468
1-cyclohexyl-1-methyl-3-(1-methylindol-3-yl)urea
CID 16813050
1-methyl-3-(1-methylindol-3-yl)-1-(1-methylpiperidin-4-yl)urea
CID 16813051
2-(hydroxymethyl)-3-methyl-N-(1-methylindol-3-yl)butanamide
CID 115187165
4-amino-N-(1-methylindol-3-yl)pentanamide
CID 115156554
3-methyl-4-[(1-methylindol-3-yl)amino]-4-oxobutanoic acid
CID 115164456
(3R,5S)-3,5-dimethyl-N-(1-methylindol-3-yl)piperidine-1-carboxamide
CID 42551679
1-(aminomethyl)-N-(1-methylindol-3-yl)cyclopropane-1-carboxamide
CID 115182529
4-amino-3-methyl-N-(1-methylindol-3-yl)butanamide
CID 115156223
N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]naphthalen-1-amine
CID 137398702

Frequently Asked Questions

What is the IUPAC name of ethane;formaldehyde;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylindol-3-amine?
The IUPAC name of ethane;formaldehyde;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylindol-3-amine (CID 142897882) is ethane;formaldehyde;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylindol-3-amine.
What is the SMILES notation for ethane;formaldehyde;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylindol-3-amine?
The canonical SMILES for ethane;formaldehyde;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylindol-3-amine is C=C/C=C(\C=C/C)Nc1cn(C)c2ccccc12.C=O.CC.
What is the InChIKey of ethane;formaldehyde;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylindol-3-amine?
The InChIKey is LALFQHNBCFQOOR-LHQUIDTKSA-N. The full InChI is InChI=1S/C16H18N2.C2H6.CH2O/c1-4-8-13(9-5-2)17-15-12-18(3)16-11-7-6-10-14(15)16;2*1-2/h4-12,17H,1H2,2-3H3;1-2H3;1H2/b9-5-,13-8+;;.
What are the key properties of ethane;formaldehyde;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylindol-3-amine?
ethane;formaldehyde;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylindol-3-amine has a molecular weight of 298.43 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formaldehyde;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylindol-3-amine is sourced from PubChem (CID 142897882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).