1,4-dimethylcyclohexane;(1Z)-2,4-dimethylpenta-1,3-dien-1-amine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)

C35H73N5 — CID 159901906

About 1,4-dimethylcyclohexane;(1Z)-2,4-dimethylpenta-1,3-dien-1-amine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)

1,4-dimethylcyclohexane;(1Z)-2,4-dimethylpenta-1,3-dien-1-amine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine) (PubChem CID 159901906) has the molecular formula C35H73N5 and a molecular weight of 564.00 g/mol. Its IUPAC name is 1,4-dimethylcyclohexane;(1Z)-2,4-dimethylpenta-1,3-dien-1-amine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine).

Molecular Properties

• Compound Name: 1,4-dimethylcyclohexane;(1Z)-2,4-dimethylpenta-1,3-dien-1-amine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)
• PubChem CID: 159901906
• Molecular Formula: C35H73N5
• Molecular Weight: 564.00 g/mol
• Exact Mass: 563.59
• IUPAC Name: 1,4-dimethylcyclohexane;(1Z)-2,4-dimethylpenta-1,3-dien-1-amine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)
• SMILES: CC(C)=C/C(C)=C\N.CC1CCC(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1
• InChI: InChI=1S/C8H16.2C7H15N.C7H13N.C6H14N2/c3*1-7-3-5-8(2)6-4-7;1-6(2)4-7(3)5-8;1-7-3-5-8(2)6-4-7/h7-8H,3-6H2,1-2H3;2*7H,3-6H2,1-2H3;4-5H,8H2,1-3H3;3-6H2,1-2H3/b;;;7-5-
• InChIKey: NWBMKPDEMVWLKE-QGOTZKSASA-N
• XLogP: 7.21
• TPSA: 38.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.00
LogP ≤ 5	7.21
H-Bond Donors ≤ 5	1
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 1,4-dimethylcyclohexane;(1Z)-2,4-dimethylpenta-1,3-dien-1-amine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)?

The IUPAC name of 1,4-dimethylcyclohexane;(1Z)-2,4-dimethylpenta-1,3-dien-1-amine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine) (CID 159901906) is 1,4-dimethylcyclohexane;(1Z)-2,4-dimethylpenta-1,3-dien-1-amine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine).

What is the SMILES notation for 1,4-dimethylcyclohexane;(1Z)-2,4-dimethylpenta-1,3-dien-1-amine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)?

The canonical SMILES for 1,4-dimethylcyclohexane;(1Z)-2,4-dimethylpenta-1,3-dien-1-amine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine) is CC(C)=C/C(C)=C\N.CC1CCC(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1.

What is the InChIKey of 1,4-dimethylcyclohexane;(1Z)-2,4-dimethylpenta-1,3-dien-1-amine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)?

The InChIKey is NWBMKPDEMVWLKE-QGOTZKSASA-N. The full InChI is InChI=1S/C8H16.2C7H15N.C7H13N.C6H14N2/c3*1-7-3-5-8(2)6-4-7;1-6(2)4-7(3)5-8;1-7-3-5-8(2)6-4-7/h7-8H,3-6H2,1-2H3;2*7H,3-6H2,1-2H3;4-5H,8H2,1-3H3;3-6H2,1-2H3/b;;;7-5-;.

What are the key properties of 1,4-dimethylcyclohexane;(1Z)-2,4-dimethylpenta-1,3-dien-1-amine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)?

1,4-dimethylcyclohexane;(1Z)-2,4-dimethylpenta-1,3-dien-1-amine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine) has a molecular weight of 564.00 g/mol, XLogP of 7.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dimethylcyclohexane;(1Z)-2,4-dimethylpenta-1,3-dien-1-amine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine) is sourced from PubChem (CID 159901906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).