butane;(1Z,3Z)-6-[4-chloro-2-[3-(methylamino)-3-(3-methylimidazol-4-yl)prop-1-en-2-yl]phenyl]-6-(1-methylpiperidin-4-yl)hexa-1,3-dien-1-amine

C34H56ClN5 — CID 143252249

About butane;(1Z,3Z)-6-[4-chloro-2-[3-(methylamino)-3-(3-methylimidazol-4-yl)prop-1-en-2-yl]phenyl]-6-(1-methylpiperidin-4-yl)hexa-1,3-dien-1-amine

butane;(1Z,3Z)-6-[4-chloro-2-[3-(methylamino)-3-(3-methylimidazol-4-yl)prop-1-en-2-yl]phenyl]-6-(1-methylpiperidin-4-yl)hexa-1,3-dien-1-amine (PubChem CID 143252249) has the molecular formula C34H56ClN5 and a molecular weight of 570.31 g/mol. Its IUPAC name is butane;(1Z,3Z)-6-[4-chloro-2-[3-(methylamino)-3-(3-methylimidazol-4-yl)prop-1-en-2-yl]phenyl]-6-(1-methylpiperidin-4-yl)hexa-1,3-dien-1-amine.

Molecular Properties

• Compound Name: butane;(1Z,3Z)-6-[4-chloro-2-[3-(methylamino)-3-(3-methylimidazol-4-yl)prop-1-en-2-yl]phenyl]-6-(1-methylpiperidin-4-yl)hexa-1,3-dien-1-amine
• PubChem CID: 143252249
• Molecular Formula: C34H56ClN5
• Molecular Weight: 570.31 g/mol
• Exact Mass: 569.42
• IUPAC Name: butane;(1Z,3Z)-6-[4-chloro-2-[3-(methylamino)-3-(3-methylimidazol-4-yl)prop-1-en-2-yl]phenyl]-6-(1-methylpiperidin-4-yl)hexa-1,3-dien-1-amine
• SMILES: C=C(c1cc(Cl)ccc1C(C/C=C\C=C/N)C1CCN(C)CC1)C(NC)c1cncn1C.CCCC.CCCC
• InChI: InChI=1S/C26H36ClN5.2C4H10/c1-19(26(29-2)25-17-30-18-32(25)4)24-16-21(27)9-10-23(24)22(8-6-5-7-13-28)20-11-14-31(3)15-12-20;2*1-3-4-2/h5-7,9-10,13,16-18,20,22,26,29H,1,8,11-12,14-15,28H2,2-4H3;2*3-4H2,1-2H3/b6-5-,13-7-
• InChIKey: ZGEZPNUNURVJGB-VVCZQAQBSA-N
• XLogP: 8.50
• TPSA: 59.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.31
LogP ≤ 5	8.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of butane;(1Z,3Z)-6-[4-chloro-2-[3-(methylamino)-3-(3-methylimidazol-4-yl)prop-1-en-2-yl]phenyl]-6-(1-methylpiperidin-4-yl)hexa-1,3-dien-1-amine?

The IUPAC name of butane;(1Z,3Z)-6-[4-chloro-2-[3-(methylamino)-3-(3-methylimidazol-4-yl)prop-1-en-2-yl]phenyl]-6-(1-methylpiperidin-4-yl)hexa-1,3-dien-1-amine (CID 143252249) is butane;(1Z,3Z)-6-[4-chloro-2-[3-(methylamino)-3-(3-methylimidazol-4-yl)prop-1-en-2-yl]phenyl]-6-(1-methylpiperidin-4-yl)hexa-1,3-dien-1-amine.

What is the SMILES notation for butane;(1Z,3Z)-6-[4-chloro-2-[3-(methylamino)-3-(3-methylimidazol-4-yl)prop-1-en-2-yl]phenyl]-6-(1-methylpiperidin-4-yl)hexa-1,3-dien-1-amine?

The canonical SMILES for butane;(1Z,3Z)-6-[4-chloro-2-[3-(methylamino)-3-(3-methylimidazol-4-yl)prop-1-en-2-yl]phenyl]-6-(1-methylpiperidin-4-yl)hexa-1,3-dien-1-amine is C=C(c1cc(Cl)ccc1C(C/C=C\C=C/N)C1CCN(C)CC1)C(NC)c1cncn1C.CCCC.CCCC.

What is the InChIKey of butane;(1Z,3Z)-6-[4-chloro-2-[3-(methylamino)-3-(3-methylimidazol-4-yl)prop-1-en-2-yl]phenyl]-6-(1-methylpiperidin-4-yl)hexa-1,3-dien-1-amine?

The InChIKey is ZGEZPNUNURVJGB-VVCZQAQBSA-N. The full InChI is InChI=1S/C26H36ClN5.2C4H10/c1-19(26(29-2)25-17-30-18-32(25)4)24-16-21(27)9-10-23(24)22(8-6-5-7-13-28)20-11-14-31(3)15-12-20;2*1-3-4-2/h5-7,9-10,13,16-18,20,22,26,29H,1,8,11-12,14-15,28H2,2-4H3;2*3-4H2,1-2H3/b6-5-,13-7-;;.

What are the key properties of butane;(1Z,3Z)-6-[4-chloro-2-[3-(methylamino)-3-(3-methylimidazol-4-yl)prop-1-en-2-yl]phenyl]-6-(1-methylpiperidin-4-yl)hexa-1,3-dien-1-amine?

butane;(1Z,3Z)-6-[4-chloro-2-[3-(methylamino)-3-(3-methylimidazol-4-yl)prop-1-en-2-yl]phenyl]-6-(1-methylpiperidin-4-yl)hexa-1,3-dien-1-amine has a molecular weight of 570.31 g/mol, XLogP of 8.50, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for butane;(1Z,3Z)-6-[4-chloro-2-[3-(methylamino)-3-(3-methylimidazol-4-yl)prop-1-en-2-yl]phenyl]-6-(1-methylpiperidin-4-yl)hexa-1,3-dien-1-amine is sourced from PubChem (CID 143252249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).