3-cyclohexylprop-1-en-2-amine;ethane;(1E)-2-[(3E)-3-[(5E)-5-ethylidene-3-[1-[[(2E,4Z)-4-(3-fluorophenyl)-3-methylhepta-2,4,6-trien-2-yl]amino]ethenyl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-4-methylpenta-1,3-dien-1-amine

C41H58FN5 — CID 145034903

About 3-cyclohexylprop-1-en-2-amine;ethane;(1E)-2-[(3E)-3-[(5E)-5-ethylidene-3-[1-[[(2E,4Z)-4-(3-fluorophenyl)-3-methylhepta-2,4,6-trien-2-yl]amino]ethenyl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-4-methylpenta-1,3-dien-1-amine

3-cyclohexylprop-1-en-2-amine;ethane;(1E)-2-[(3E)-3-[(5E)-5-ethylidene-3-[1-[[(2E,4Z)-4-(3-fluorophenyl)-3-methylhepta-2,4,6-trien-2-yl]amino]ethenyl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-4-methylpenta-1,3-dien-1-amine (PubChem CID 145034903) has the molecular formula C41H58FN5 and a molecular weight of 639.95 g/mol. Its IUPAC name is 3-cyclohexylprop-1-en-2-amine;ethane;(1E)-2-[(3E)-3-[(5E)-5-ethylidene-3-[1-[[(2E,4Z)-4-(3-fluorophenyl)-3-methylhepta-2,4,6-trien-2-yl]amino]ethenyl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-4-methylpenta-1,3-dien-1-amine.

Molecular Properties

• Compound Name: 3-cyclohexylprop-1-en-2-amine;ethane;(1E)-2-[(3E)-3-[(5E)-5-ethylidene-3-[1-[[(2E,4Z)-4-(3-fluorophenyl)-3-methylhepta-2,4,6-trien-2-yl]amino]ethenyl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-4-methylpenta-1,3-dien-1-amine
• PubChem CID: 145034903
• Molecular Formula: C41H58FN5
• Molecular Weight: 639.95 g/mol
• Exact Mass: 639.47
• IUPAC Name: 3-cyclohexylprop-1-en-2-amine;ethane;(1E)-2-[(3E)-3-[(5E)-5-ethylidene-3-[1-[[(2E,4Z)-4-(3-fluorophenyl)-3-methylhepta-2,4,6-trien-2-yl]amino]ethenyl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-4-methylpenta-1,3-dien-1-amine
• SMILES: C=C(N)CC1CCCCC1.C=C/C=C(C(\C)=C(/C)NC(=C)c1n[nH]c(=C/C)/c1=C\C(=C)/C(C=C(C)C)=C/N)/c1cccc(F)c1.CC
• InChI: InChI=1S/C30H35FN4.C9H17N.C2H6/c1-9-12-27(24-13-11-14-26(31)17-24)21(6)22(7)33-23(8)30-28(29(10-2)34-35-30)16-20(5)25(18-32)15-19(3)4;1-8(10)7-9-5-3-2-4-6-9;1-2/h9-18,33-34H,1,5,8,32H2,2-4,6-7H3;9H,1-7,10H2;1-2H3/b22-21+,25-18+,27-12+,28-16+,29-10+
• InChIKey: BZNIADCQNXTQPT-WCCRHMPTSA-N
• XLogP: 9.07
• TPSA: 92.75 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	639.95
LogP ≤ 5	9.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylprop-1-en-2-amine;ethane;(1E)-2-[(3E)-3-[(5E)-5-ethylidene-3-[1-[[(2E,4Z)-4-(3-fluorophenyl)-3-methylhepta-2,4,6-trien-2-yl]amino]ethenyl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-4-methylpenta-1,3-dien-1-amine?

The IUPAC name of 3-cyclohexylprop-1-en-2-amine;ethane;(1E)-2-[(3E)-3-[(5E)-5-ethylidene-3-[1-[[(2E,4Z)-4-(3-fluorophenyl)-3-methylhepta-2,4,6-trien-2-yl]amino]ethenyl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-4-methylpenta-1,3-dien-1-amine (CID 145034903) is 3-cyclohexylprop-1-en-2-amine;ethane;(1E)-2-[(3E)-3-[(5E)-5-ethylidene-3-[1-[[(2E,4Z)-4-(3-fluorophenyl)-3-methylhepta-2,4,6-trien-2-yl]amino]ethenyl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-4-methylpenta-1,3-dien-1-amine.

What is the SMILES notation for 3-cyclohexylprop-1-en-2-amine;ethane;(1E)-2-[(3E)-3-[(5E)-5-ethylidene-3-[1-[[(2E,4Z)-4-(3-fluorophenyl)-3-methylhepta-2,4,6-trien-2-yl]amino]ethenyl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-4-methylpenta-1,3-dien-1-amine?

The canonical SMILES for 3-cyclohexylprop-1-en-2-amine;ethane;(1E)-2-[(3E)-3-[(5E)-5-ethylidene-3-[1-[[(2E,4Z)-4-(3-fluorophenyl)-3-methylhepta-2,4,6-trien-2-yl]amino]ethenyl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-4-methylpenta-1,3-dien-1-amine is C=C(N)CC1CCCCC1.C=C/C=C(C(\C)=C(/C)NC(=C)c1n[nH]c(=C/C)/c1=C\C(=C)/C(C=C(C)C)=C/N)/c1cccc(F)c1.CC.

What is the InChIKey of 3-cyclohexylprop-1-en-2-amine;ethane;(1E)-2-[(3E)-3-[(5E)-5-ethylidene-3-[1-[[(2E,4Z)-4-(3-fluorophenyl)-3-methylhepta-2,4,6-trien-2-yl]amino]ethenyl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-4-methylpenta-1,3-dien-1-amine?

The InChIKey is BZNIADCQNXTQPT-WCCRHMPTSA-N. The full InChI is InChI=1S/C30H35FN4.C9H17N.C2H6/c1-9-12-27(24-13-11-14-26(31)17-24)21(6)22(7)33-23(8)30-28(29(10-2)34-35-30)16-20(5)25(18-32)15-19(3)4;1-8(10)7-9-5-3-2-4-6-9;1-2/h9-18,33-34H,1,5,8,32H2,2-4,6-7H3;9H,1-7,10H2;1-2H3/b22-21+,25-18+,27-12+,28-16+,29-10+;;.

What are the key properties of 3-cyclohexylprop-1-en-2-amine;ethane;(1E)-2-[(3E)-3-[(5E)-5-ethylidene-3-[1-[[(2E,4Z)-4-(3-fluorophenyl)-3-methylhepta-2,4,6-trien-2-yl]amino]ethenyl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-4-methylpenta-1,3-dien-1-amine?

3-cyclohexylprop-1-en-2-amine;ethane;(1E)-2-[(3E)-3-[(5E)-5-ethylidene-3-[1-[[(2E,4Z)-4-(3-fluorophenyl)-3-methylhepta-2,4,6-trien-2-yl]amino]ethenyl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-4-methylpenta-1,3-dien-1-amine has a molecular weight of 639.95 g/mol, XLogP of 9.07, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclohexylprop-1-en-2-amine;ethane;(1E)-2-[(3E)-3-[(5E)-5-ethylidene-3-[1-[[(2E,4Z)-4-(3-fluorophenyl)-3-methylhepta-2,4,6-trien-2-yl]amino]ethenyl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-4-methylpenta-1,3-dien-1-amine is sourced from PubChem (CID 145034903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).