4-N-[2-[(E)-3-methyl-1-phenylbut-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine;dihydrochloride

C20H32Cl2N2 — CID 122641323

About 4-N-[2-[(E)-3-methyl-1-phenylbut-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine;dihydrochloride

4-N-[2-[(E)-3-methyl-1-phenylbut-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine;dihydrochloride (PubChem CID 122641323) has the molecular formula C20H32Cl2N2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 4-N-[2-[(E)-3-methyl-1-phenylbut-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine;dihydrochloride.

Molecular Properties

• Compound Name: 4-N-[2-[(E)-3-methyl-1-phenylbut-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine;dihydrochloride
• PubChem CID: 122641323
• Molecular Formula: C20H32Cl2N2
• Molecular Weight: 371.40 g/mol
• Exact Mass: 370.19
• IUPAC Name: 4-N-[2-[(E)-3-methyl-1-phenylbut-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine;dihydrochloride
• SMILES: CC(C)/C(=C\c1ccccc1)C1CC1NC1CCC(N)CC1.Cl.Cl
• InChI: InChI=1S/C20H30N2.2ClH/c1-14(2)18(12-15-6-4-3-5-7-15)19-13-20(19)22-17-10-8-16(21)9-11-17;;/h3-7,12,14,16-17,19-20,22H,8-11,13,21H2,1-2H3;2*1H/b18-12+
• InChIKey: VGINNQYWEZPBIP-JKXROLASSA-N
• XLogP: 4.82
• TPSA: 38.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.40
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[(E)-3-methyl-1-phenylbut-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine;dihydrochloride?

The IUPAC name of 4-N-[2-[(E)-3-methyl-1-phenylbut-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine;dihydrochloride (CID 122641323) is 4-N-[2-[(E)-3-methyl-1-phenylbut-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine;dihydrochloride.

What is the SMILES notation for 4-N-[2-[(E)-3-methyl-1-phenylbut-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine;dihydrochloride?

The canonical SMILES for 4-N-[2-[(E)-3-methyl-1-phenylbut-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine;dihydrochloride is CC(C)/C(=C\c1ccccc1)C1CC1NC1CCC(N)CC1.Cl.Cl.

What is the InChIKey of 4-N-[2-[(E)-3-methyl-1-phenylbut-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine;dihydrochloride?

The InChIKey is VGINNQYWEZPBIP-JKXROLASSA-N. The full InChI is InChI=1S/C20H30N2.2ClH/c1-14(2)18(12-15-6-4-3-5-7-15)19-13-20(19)22-17-10-8-16(21)9-11-17;;/h3-7,12,14,16-17,19-20,22H,8-11,13,21H2,1-2H3;2*1H/b18-12+;;.

What are the key properties of 4-N-[2-[(E)-3-methyl-1-phenylbut-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine;dihydrochloride?

4-N-[2-[(E)-3-methyl-1-phenylbut-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine;dihydrochloride has a molecular weight of 371.40 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[2-[(E)-3-methyl-1-phenylbut-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine;dihydrochloride is sourced from PubChem (CID 122641323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).