(4Z)-3-(4-methoxy-1H-indol-6-yl)-N-methyl-4-(methylideneamino)hepta-4,6-dien-1-amine

C18H23N3O — CID 143475499

IUPAC(4Z)-3-(4-methoxy-1H-indol-6-yl)-N-methyl-4-(methylideneamino)hepta-4,6-dien-1-amine
SMILESC=C/C=C(\N=C)C(CCNC)c1cc(OC)c2cc[nH]c2c1
InChIInChI=1S/C18H23N3O/c1-5-6-16(20-3)14(7-9-19-2)13-11-17-15(8-10-21-17)18(12-13)22-4/h5-6,8,10-12,14,19,21H,1,3,7,9H2,2,4H3/b16-6-
InChIKeyDQUDZIJSEOYKPT-SOFYXZRVSA-N
MW297.40 g/mol
LogP3.64
Rot. Bonds8

About (4Z)-3-(4-methoxy-1H-indol-6-yl)-N-methyl-4-(methylideneamino)hepta-4,6-dien-1-amine

(4Z)-3-(4-methoxy-1H-indol-6-yl)-N-methyl-4-(methylideneamino)hepta-4,6-dien-1-amine (PubChem CID 143475499) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is (4Z)-3-(4-methoxy-1H-indol-6-yl)-N-methyl-4-(methylideneamino)hepta-4,6-dien-1-amine.

Molecular Properties

Compound Name(4Z)-3-(4-methoxy-1H-indol-6-yl)-N-methyl-4-(methylideneamino)hepta-4,6-dien-1-amine
PubChem CID143475499
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name(4Z)-3-(4-methoxy-1H-indol-6-yl)-N-methyl-4-(methylideneamino)hepta-4,6-dien-1-amine
SMILESC=C/C=C(\N=C)C(CCNC)c1cc(OC)c2cc[nH]c2c1
InChIInChI=1S/C18H23N3O/c1-5-6-16(20-3)14(7-9-19-2)13-11-17-15(8-10-21-17)18(12-13)22-4/h5-6,8,10-12,14,19,21H,1,3,7,9H2,2,4H3/b16-6-
InChIKeyDQUDZIJSEOYKPT-SOFYXZRVSA-N
XLogP3.64
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropan-1-amine;hydrochloride
CID 25261735
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CID 171891111
N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)propane-1,3-diamine
CID 116948624
1-(4-hydroxy-3-methoxyphenyl)-4-(methylamino)butane-1,2-diol
CID 171890088
1-[4-(hydroxymethyl)-3-methoxyphenyl]-4-(methylamino)butane-1,2-diol
CID 171890514
3-(1H-indol-5-yl)-3-(1H-indol-6-yl)-N-methylpropan-1-amine
CID 59831603
(3S,4Z)-N-methyl-4-methylsulfanyl-3-naphthalen-1-yloxyhepta-4,6-dien-1-amine
CID 89078713
2,2-difluoro-1-(3,4,5-trimethoxyphenyl)but-3-en-1-ol
CID 134861831
N-methyl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine
CID 105001000
3-(5-methoxy-1H-indol-4-yl)butanal
CID 117309270
3-(5-methoxy-1H-indol-3-yl)-N-methylpentan-1-amine
CID 167471942
3-(4-methoxy-1-benzofuran-2-yl)-N-methyl-3-phenylpropan-1-amine
CID 58088467

Frequently Asked Questions

What is the IUPAC name of (4Z)-3-(4-methoxy-1H-indol-6-yl)-N-methyl-4-(methylideneamino)hepta-4,6-dien-1-amine?
The IUPAC name of (4Z)-3-(4-methoxy-1H-indol-6-yl)-N-methyl-4-(methylideneamino)hepta-4,6-dien-1-amine (CID 143475499) is (4Z)-3-(4-methoxy-1H-indol-6-yl)-N-methyl-4-(methylideneamino)hepta-4,6-dien-1-amine.
What is the SMILES notation for (4Z)-3-(4-methoxy-1H-indol-6-yl)-N-methyl-4-(methylideneamino)hepta-4,6-dien-1-amine?
The canonical SMILES for (4Z)-3-(4-methoxy-1H-indol-6-yl)-N-methyl-4-(methylideneamino)hepta-4,6-dien-1-amine is C=C/C=C(\N=C)C(CCNC)c1cc(OC)c2cc[nH]c2c1.
What is the InChIKey of (4Z)-3-(4-methoxy-1H-indol-6-yl)-N-methyl-4-(methylideneamino)hepta-4,6-dien-1-amine?
The InChIKey is DQUDZIJSEOYKPT-SOFYXZRVSA-N. The full InChI is InChI=1S/C18H23N3O/c1-5-6-16(20-3)14(7-9-19-2)13-11-17-15(8-10-21-17)18(12-13)22-4/h5-6,8,10-12,14,19,21H,1,3,7,9H2,2,4H3/b16-6-.
What are the key properties of (4Z)-3-(4-methoxy-1H-indol-6-yl)-N-methyl-4-(methylideneamino)hepta-4,6-dien-1-amine?
(4Z)-3-(4-methoxy-1H-indol-6-yl)-N-methyl-4-(methylideneamino)hepta-4,6-dien-1-amine has a molecular weight of 297.40 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-(4-methoxy-1H-indol-6-yl)-N-methyl-4-(methylideneamino)hepta-4,6-dien-1-amine is sourced from PubChem (CID 143475499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).