(2E,4E)-4-methyl-N-[(Z)-prop-1-enyl]-3-propyl-N-[2-(1,2,5-trimethylcyclopent-3-en-1-yl)propan-2-yl]hexa-2,4-dien-1-amine

C24H41N — CID 143683361

IUPAC(2E,4E)-4-methyl-N-[(Z)-prop-1-enyl]-3-propyl-N-[2-(1,2,5-trimethylcyclopent-3-en-1-yl)propan-2-yl]hexa-2,4-dien-1-amine
SMILESC/C=C\N(C/C=C(CCC)/C(C)=C/C)C(C)(C)C1(C)C(C)C=CC1C
InChIInChI=1S/C24H41N/c1-10-13-22(19(4)12-3)16-18-25(17-11-2)23(7,8)24(9)20(5)14-15-21(24)6/h11-12,14-17,20-21H,10,13,18H2,1-9H3/b17-11-,19-12+,22-16+
InChIKeyDKGFAPXYTBLBTL-XICHBGJLSA-N
MW343.60 g/mol
LogP7.14
Rot. Bonds8

About (2E,4E)-4-methyl-N-[(Z)-prop-1-enyl]-3-propyl-N-[2-(1,2,5-trimethylcyclopent-3-en-1-yl)propan-2-yl]hexa-2,4-dien-1-amine

(2E,4E)-4-methyl-N-[(Z)-prop-1-enyl]-3-propyl-N-[2-(1,2,5-trimethylcyclopent-3-en-1-yl)propan-2-yl]hexa-2,4-dien-1-amine (PubChem CID 143683361) has the molecular formula C24H41N and a molecular weight of 343.60 g/mol. Its IUPAC name is (2E,4E)-4-methyl-N-[(Z)-prop-1-enyl]-3-propyl-N-[2-(1,2,5-trimethylcyclopent-3-en-1-yl)propan-2-yl]hexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4E)-4-methyl-N-[(Z)-prop-1-enyl]-3-propyl-N-[2-(1,2,5-trimethylcyclopent-3-en-1-yl)propan-2-yl]hexa-2,4-dien-1-amine
PubChem CID143683361
Molecular FormulaC24H41N
Molecular Weight343.60 g/mol
Exact Mass343.32
IUPAC Name(2E,4E)-4-methyl-N-[(Z)-prop-1-enyl]-3-propyl-N-[2-(1,2,5-trimethylcyclopent-3-en-1-yl)propan-2-yl]hexa-2,4-dien-1-amine
SMILESC/C=C\N(C/C=C(CCC)/C(C)=C/C)C(C)(C)C1(C)C(C)C=CC1C
InChIInChI=1S/C24H41N/c1-10-13-22(19(4)12-3)16-18-25(17-11-2)23(7,8)24(9)20(5)14-15-21(24)6/h11-12,14-17,20-21H,10,13,18H2,1-9H3/b17-11-,19-12+,22-16+
InChIKeyDKGFAPXYTBLBTL-XICHBGJLSA-N
XLogP7.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.60
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z,6Z)-N-[(4,4-dimethylcyclohex-2-en-1-yl)methyl]-N-ethyl-3-[(Z)-1-fluoro-3-methyl-2-methylidenepent-3-enylidene]-4-methylnona-1,6,8-trien-2-amine
CID 132124064
1,3-Ditert-butyl-3a,7a-dihydroindole
CID 58816510
1,2,2,3-Tetraethylpyridine
CID 67814030
3-cyclohexa-2,4-dien-1-yl-2,3-dimethyl-N-(2-methylpropyl)-N-prop-1-en-2-ylbutan-1-amine
CID 68302544
(2E)-2-ethylidene-3,3,5-trimethyl-1-propyl-4,5-dihydroindole
CID 71108314
(4R)-1,4,5,5,7-pentamethyl-6-[(Z)-4-methylhept-1-enyl]-3,4-dihydro-2H-azepine
CID 71119976
(4R)-6-[(Z)-5,5-dimethylhex-1-enyl]-1,4,5,5,7-pentamethyl-3,4-dihydro-2H-azepine
CID 71119994
(4R)-7-(2,4-dimethylpentyl)-1,4,5,5-tetramethyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-azepine
CID 71120000
(4R)-1,4,5,5,7-pentamethyl-6-[(Z)-5-methylhex-1-enyl]-3,4-dihydro-2H-azepine
CID 71120001
(2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-2-ethylidene-1-propan-2-ylpyrrole
CID 71188366
2,3,3,7-tetramethyl-N-(3-methylbut-1-en-2-yl)-N-prop-2-enyloct-6-en-1-amine
CID 88928002
2,3,3,7-tetramethyl-N-[(3E)-penta-1,3-dien-2-yl]-N-propyloct-6-en-1-amine
CID 88928009

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-4-methyl-N-[(Z)-prop-1-enyl]-3-propyl-N-[2-(1,2,5-trimethylcyclopent-3-en-1-yl)propan-2-yl]hexa-2,4-dien-1-amine?
The IUPAC name of (2E,4E)-4-methyl-N-[(Z)-prop-1-enyl]-3-propyl-N-[2-(1,2,5-trimethylcyclopent-3-en-1-yl)propan-2-yl]hexa-2,4-dien-1-amine (CID 143683361) is (2E,4E)-4-methyl-N-[(Z)-prop-1-enyl]-3-propyl-N-[2-(1,2,5-trimethylcyclopent-3-en-1-yl)propan-2-yl]hexa-2,4-dien-1-amine.
What is the SMILES notation for (2E,4E)-4-methyl-N-[(Z)-prop-1-enyl]-3-propyl-N-[2-(1,2,5-trimethylcyclopent-3-en-1-yl)propan-2-yl]hexa-2,4-dien-1-amine?
The canonical SMILES for (2E,4E)-4-methyl-N-[(Z)-prop-1-enyl]-3-propyl-N-[2-(1,2,5-trimethylcyclopent-3-en-1-yl)propan-2-yl]hexa-2,4-dien-1-amine is C/C=C\N(C/C=C(CCC)/C(C)=C/C)C(C)(C)C1(C)C(C)C=CC1C.
What is the InChIKey of (2E,4E)-4-methyl-N-[(Z)-prop-1-enyl]-3-propyl-N-[2-(1,2,5-trimethylcyclopent-3-en-1-yl)propan-2-yl]hexa-2,4-dien-1-amine?
The InChIKey is DKGFAPXYTBLBTL-XICHBGJLSA-N. The full InChI is InChI=1S/C24H41N/c1-10-13-22(19(4)12-3)16-18-25(17-11-2)23(7,8)24(9)20(5)14-15-21(24)6/h11-12,14-17,20-21H,10,13,18H2,1-9H3/b17-11-,19-12+,22-16+.
What are the key properties of (2E,4E)-4-methyl-N-[(Z)-prop-1-enyl]-3-propyl-N-[2-(1,2,5-trimethylcyclopent-3-en-1-yl)propan-2-yl]hexa-2,4-dien-1-amine?
(2E,4E)-4-methyl-N-[(Z)-prop-1-enyl]-3-propyl-N-[2-(1,2,5-trimethylcyclopent-3-en-1-yl)propan-2-yl]hexa-2,4-dien-1-amine has a molecular weight of 343.60 g/mol, XLogP of 7.14, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-4-methyl-N-[(Z)-prop-1-enyl]-3-propyl-N-[2-(1,2,5-trimethylcyclopent-3-en-1-yl)propan-2-yl]hexa-2,4-dien-1-amine is sourced from PubChem (CID 143683361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).