(4E)-3-N-[[(4Z,5E)-4-ethylidene-5-propylidene-1H-pyrrol-2-yl]methyl]-4-methoxy-1-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]hexa-2,4-diene-1,3-diamine

C23H35N3O — CID 143282157

IUPAC(4E)-3-N-[[(4Z,5E)-4-ethylidene-5-propylidene-1H-pyrrol-2-yl]methyl]-4-methoxy-1-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]hexa-2,4-diene-1,3-diamine
SMILESC=C(C)/C=C(/C)NCC=C(NCc1cc(=C/C)/c(=C\CC)[nH]1)/C(=C\C)OC
InChIInChI=1S/C23H35N3O/c1-8-11-21-19(9-2)15-20(26-21)16-25-22(23(10-3)27-7)12-13-24-18(6)14-17(4)5/h9-12,14-15,24-26H,4,8,13,16H2,1-3,5-7H3/b18-14-,19-9-,21-11+,22-12?,23-10+
InChIKeyBURAQEFIKQUXIP-YUBPOEGXSA-N
MW369.55 g/mol
LogP3.60
Rot. Bonds10

About (4E)-3-N-[[(4Z,5E)-4-ethylidene-5-propylidene-1H-pyrrol-2-yl]methyl]-4-methoxy-1-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]hexa-2,4-diene-1,3-diamine

(4E)-3-N-[[(4Z,5E)-4-ethylidene-5-propylidene-1H-pyrrol-2-yl]methyl]-4-methoxy-1-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]hexa-2,4-diene-1,3-diamine (PubChem CID 143282157) has the molecular formula C23H35N3O and a molecular weight of 369.55 g/mol. Its IUPAC name is (4E)-3-N-[[(4Z,5E)-4-ethylidene-5-propylidene-1H-pyrrol-2-yl]methyl]-4-methoxy-1-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]hexa-2,4-diene-1,3-diamine.

Molecular Properties

Compound Name(4E)-3-N-[[(4Z,5E)-4-ethylidene-5-propylidene-1H-pyrrol-2-yl]methyl]-4-methoxy-1-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]hexa-2,4-diene-1,3-diamine
PubChem CID143282157
Molecular FormulaC23H35N3O
Molecular Weight369.55 g/mol
Exact Mass369.28
IUPAC Name(4E)-3-N-[[(4Z,5E)-4-ethylidene-5-propylidene-1H-pyrrol-2-yl]methyl]-4-methoxy-1-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]hexa-2,4-diene-1,3-diamine
SMILESC=C(C)/C=C(/C)NCC=C(NCc1cc(=C/C)/c(=C\CC)[nH]1)/C(=C\C)OC
InChIInChI=1S/C23H35N3O/c1-8-11-21-19(9-2)15-20(26-21)16-25-22(23(10-3)27-7)12-13-24-18(6)14-17(4)5/h9-12,14-15,24-26H,4,8,13,16H2,1-3,5-7H3/b18-14-,19-9-,21-11+,22-12?,23-10+
InChIKeyBURAQEFIKQUXIP-YUBPOEGXSA-N
XLogP3.60
TPSA49.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.55
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (4E)-3-N-[[(4Z,5E)-4-ethylidene-5-propylidene-1H-pyrrol-2-yl]methyl]-4-methoxy-1-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]hexa-2,4-diene-1,3-diamine 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

(3Z,5Z)-6-N-[(E)-3-methylpent-2-en-2-yl]-5-(2-pyrrolidin-1-ylethoxy)hepta-1,3,5-triene-2,6-diamine
CID 129236607
ethane;(4E)-3-N-[[(4Z,5E)-4-ethylidene-5-propylidene-1H-pyrrol-2-yl]methyl]-4-methoxy-1-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]hexa-2,4-diene-1,3-diamine
CID 143282156
ethane;3-methyl-2-(3-methyl-1,2-dihydropyridin-6-yl)-4,5,6,7-tetrahydro-2H-[1,3]oxazolo[4,5-c]pyridine
CID 144612709
3-(7,8-dimethyl-3-methylidene-5H-cyclohepta[b][1,4]oxazin-4-yl)prop-1-en-2-amine;ethane
CID 144852133
(3Z)-N-butyl-6-[2-(ethylamino)ethoxy]-3-methyl-5-methylidenehepta-1,3,6-trien-2-amine
CID 144858385
(3E,5E)-3-methoxy-5-(piperazin-1-ylmethyl)hepta-1,3,5-trien-2-amine
CID 145324568
ethane;(3E)-N-ethyl-2-methoxy-5-methylhexa-1,3,5-trien-3-amine
CID 164573779
N'-[1-(2,3-dihydrofuran-5-yl)but-1-enyl]-N-ethylethane-1,2-diamine
CID 142147994
(6Z,8Z)-5,7-diethyl-N-[1-[2-[(E)-1-methoxyprop-1-enyl]-6-methylidene-1H-pyridin-3-yl]butan-2-yl]-8-methyldeca-4,6,8-trien-1-amine
CID 142619027
3-(7,8-dimethyl-3-methylidene-5H-cyclohepta[b][1,4]oxazin-4-yl)prop-1-en-2-amine
CID 144852134
(3E)-N-ethyl-2-methoxy-5-methylhexa-1,3,5-trien-3-amine
CID 164573780

Frequently Asked Questions

What is the IUPAC name of (4E)-3-N-[[(4Z,5E)-4-ethylidene-5-propylidene-1H-pyrrol-2-yl]methyl]-4-methoxy-1-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]hexa-2,4-diene-1,3-diamine?
The IUPAC name of (4E)-3-N-[[(4Z,5E)-4-ethylidene-5-propylidene-1H-pyrrol-2-yl]methyl]-4-methoxy-1-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]hexa-2,4-diene-1,3-diamine (CID 143282157) is (4E)-3-N-[[(4Z,5E)-4-ethylidene-5-propylidene-1H-pyrrol-2-yl]methyl]-4-methoxy-1-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]hexa-2,4-diene-1,3-diamine.
What is the SMILES notation for (4E)-3-N-[[(4Z,5E)-4-ethylidene-5-propylidene-1H-pyrrol-2-yl]methyl]-4-methoxy-1-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]hexa-2,4-diene-1,3-diamine?
The canonical SMILES for (4E)-3-N-[[(4Z,5E)-4-ethylidene-5-propylidene-1H-pyrrol-2-yl]methyl]-4-methoxy-1-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]hexa-2,4-diene-1,3-diamine is C=C(C)/C=C(/C)NCC=C(NCc1cc(=C/C)/c(=C\CC)[nH]1)/C(=C\C)OC.
What is the InChIKey of (4E)-3-N-[[(4Z,5E)-4-ethylidene-5-propylidene-1H-pyrrol-2-yl]methyl]-4-methoxy-1-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]hexa-2,4-diene-1,3-diamine?
The InChIKey is BURAQEFIKQUXIP-YUBPOEGXSA-N. The full InChI is InChI=1S/C23H35N3O/c1-8-11-21-19(9-2)15-20(26-21)16-25-22(23(10-3)27-7)12-13-24-18(6)14-17(4)5/h9-12,14-15,24-26H,4,8,13,16H2,1-3,5-7H3/b18-14-,19-9-,21-11+,22-12?,23-10+.
What are the key properties of (4E)-3-N-[[(4Z,5E)-4-ethylidene-5-propylidene-1H-pyrrol-2-yl]methyl]-4-methoxy-1-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]hexa-2,4-diene-1,3-diamine?
(4E)-3-N-[[(4Z,5E)-4-ethylidene-5-propylidene-1H-pyrrol-2-yl]methyl]-4-methoxy-1-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]hexa-2,4-diene-1,3-diamine has a molecular weight of 369.55 g/mol, XLogP of 3.60, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-3-N-[[(4Z,5E)-4-ethylidene-5-propylidene-1H-pyrrol-2-yl]methyl]-4-methoxy-1-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]hexa-2,4-diene-1,3-diamine is sourced from PubChem (CID 143282157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).