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

C25H41N3O — CID 143282156

IUPACethane;(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.CC
InChIInChI=1S/C23H35N3O.C2H6/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;1-2/h9-12,14-15,24-26H,4,8,13,16H2,1-3,5-7H3;1-2H3/b18-14-,19-9-,21-11+,22-12?,23-10+;
InChIKeyFIQQDEHGYRNRRC-YCPPAYJJSA-N
MW399.62 g/mol
LogP4.62
Rot. Bonds10

About 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

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 (PubChem CID 143282156) has the molecular formula C25H41N3O and a molecular weight of 399.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethane;(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 CID143282156
Molecular FormulaC25H41N3O
Molecular Weight399.62 g/mol
Exact Mass399.32
IUPAC Nameethane;(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.CC
InChIInChI=1S/C23H35N3O.C2H6/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;1-2/h9-12,14-15,24-26H,4,8,13,16H2,1-3,5-7H3;1-2H3/b18-14-,19-9-,21-11+,22-12?,23-10+;
InChIKeyFIQQDEHGYRNRRC-YCPPAYJJSA-N
XLogP4.62
TPSA49.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.62
LogP ≤ 54.62
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 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 with MolForge

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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;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
(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
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C(C)/C=C(/C)NCC=C(NCc1cc(=C/C)/c(=C\CC)[nH]1)/C(=C\C)OC.CC.
What is the InChIKey of 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?
The InChIKey is FIQQDEHGYRNRRC-YCPPAYJJSA-N. The full InChI is InChI=1S/C23H35N3O.C2H6/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;1-2/h9-12,14-15,24-26H,4,8,13,16H2,1-3,5-7H3;1-2H3/b18-14-,19-9-,21-11+,22-12?,23-10+;.
What are the key properties of 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?
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 has a molecular weight of 399.62 g/mol, XLogP of 4.62, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 143282156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).