3-N-[(3Z)-4-(1H-indol-3-yl)-3-(4-methylpent-1-en-2-ylamino)buta-1,3-dien-2-yl]-3-methylbut-1-ene-2,3-diamine

C23H32N4 — CID 155419669

IUPAC3-N-[(3Z)-4-(1H-indol-3-yl)-3-(4-methylpent-1-en-2-ylamino)buta-1,3-dien-2-yl]-3-methylbut-1-ene-2,3-diamine
SMILESC=C(CC(C)C)N/C(=C\c1c[nH]c2ccccc12)C(=C)NC(C)(C)C(=C)N
InChIInChI=1S/C23H32N4/c1-15(2)12-16(3)26-22(17(4)27-23(6,7)18(5)24)13-19-14-25-21-11-9-8-10-20(19)21/h8-11,13-15,25-27H,3-5,12,24H2,1-2,6-7H3/b22-13-
InChIKeyJSGIALVESFNYBC-XKZIYDEJSA-N
MW364.54 g/mol
LogP5.01
Rot. Bonds9

About 3-N-[(3Z)-4-(1H-indol-3-yl)-3-(4-methylpent-1-en-2-ylamino)buta-1,3-dien-2-yl]-3-methylbut-1-ene-2,3-diamine

3-N-[(3Z)-4-(1H-indol-3-yl)-3-(4-methylpent-1-en-2-ylamino)buta-1,3-dien-2-yl]-3-methylbut-1-ene-2,3-diamine (PubChem CID 155419669) has the molecular formula C23H32N4 and a molecular weight of 364.54 g/mol. Its IUPAC name is 3-N-[(3Z)-4-(1H-indol-3-yl)-3-(4-methylpent-1-en-2-ylamino)buta-1,3-dien-2-yl]-3-methylbut-1-ene-2,3-diamine.

Molecular Properties

Compound Name3-N-[(3Z)-4-(1H-indol-3-yl)-3-(4-methylpent-1-en-2-ylamino)buta-1,3-dien-2-yl]-3-methylbut-1-ene-2,3-diamine
PubChem CID155419669
Molecular FormulaC23H32N4
Molecular Weight364.54 g/mol
Exact Mass364.26
IUPAC Name3-N-[(3Z)-4-(1H-indol-3-yl)-3-(4-methylpent-1-en-2-ylamino)buta-1,3-dien-2-yl]-3-methylbut-1-ene-2,3-diamine
SMILESC=C(CC(C)C)N/C(=C\c1c[nH]c2ccccc12)C(=C)NC(C)(C)C(=C)N
InChIInChI=1S/C23H32N4/c1-15(2)12-16(3)26-22(17(4)27-23(6,7)18(5)24)13-19-14-25-21-11-9-8-10-20(19)21/h8-11,13-15,25-27H,3-5,12,24H2,1-2,6-7H3/b22-13-
InChIKeyJSGIALVESFNYBC-XKZIYDEJSA-N
XLogP5.01
TPSA65.87 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.54
LogP ≤ 55.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 142165781
(Z)-2-fluoro-3-(1H-indol-3-yl)prop-2-enoic acid
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3-(2,2-dibromoethenyl)-1H-indole
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N-[(E)-1-(1H-indol-3-yl)-3-[[(2R)-1-methoxybutan-2-yl]amino]-3-oxoprop-1-en-2-yl]benzamide
CID 124658214
(E)-(carbamothioylamino)-(1H-indol-3-ylmethylidene)azanium
CID 135749038
2-(1H-indol-3-yl)propan-1-amine
CID 6452095
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-methylpropyl)oxamide
CID 135814046
2-(1H-indol-3-yl)propan-1-amine;hydrochloride
CID 11970278
2-hydroxy-3-(1H-indol-3-yl)prop-2-enoic acid
CID 85336038
N'-(1H-indol-3-yl)-2-propan-2-ylpropane-1,3-diamine
CID 115252326
(Z)-3-(1H-indol-3-yl)-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-propylprop-2-enamide
CID 155277918

Frequently Asked Questions

What is the IUPAC name of 3-N-[(3Z)-4-(1H-indol-3-yl)-3-(4-methylpent-1-en-2-ylamino)buta-1,3-dien-2-yl]-3-methylbut-1-ene-2,3-diamine?
The IUPAC name of 3-N-[(3Z)-4-(1H-indol-3-yl)-3-(4-methylpent-1-en-2-ylamino)buta-1,3-dien-2-yl]-3-methylbut-1-ene-2,3-diamine (CID 155419669) is 3-N-[(3Z)-4-(1H-indol-3-yl)-3-(4-methylpent-1-en-2-ylamino)buta-1,3-dien-2-yl]-3-methylbut-1-ene-2,3-diamine.
What is the SMILES notation for 3-N-[(3Z)-4-(1H-indol-3-yl)-3-(4-methylpent-1-en-2-ylamino)buta-1,3-dien-2-yl]-3-methylbut-1-ene-2,3-diamine?
The canonical SMILES for 3-N-[(3Z)-4-(1H-indol-3-yl)-3-(4-methylpent-1-en-2-ylamino)buta-1,3-dien-2-yl]-3-methylbut-1-ene-2,3-diamine is C=C(CC(C)C)N/C(=C\c1c[nH]c2ccccc12)C(=C)NC(C)(C)C(=C)N.
What is the InChIKey of 3-N-[(3Z)-4-(1H-indol-3-yl)-3-(4-methylpent-1-en-2-ylamino)buta-1,3-dien-2-yl]-3-methylbut-1-ene-2,3-diamine?
The InChIKey is JSGIALVESFNYBC-XKZIYDEJSA-N. The full InChI is InChI=1S/C23H32N4/c1-15(2)12-16(3)26-22(17(4)27-23(6,7)18(5)24)13-19-14-25-21-11-9-8-10-20(19)21/h8-11,13-15,25-27H,3-5,12,24H2,1-2,6-7H3/b22-13-.
What are the key properties of 3-N-[(3Z)-4-(1H-indol-3-yl)-3-(4-methylpent-1-en-2-ylamino)buta-1,3-dien-2-yl]-3-methylbut-1-ene-2,3-diamine?
3-N-[(3Z)-4-(1H-indol-3-yl)-3-(4-methylpent-1-en-2-ylamino)buta-1,3-dien-2-yl]-3-methylbut-1-ene-2,3-diamine has a molecular weight of 364.54 g/mol, XLogP of 5.01, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(3Z)-4-(1H-indol-3-yl)-3-(4-methylpent-1-en-2-ylamino)buta-1,3-dien-2-yl]-3-methylbut-1-ene-2,3-diamine is sourced from PubChem (CID 155419669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).