4-[[4-[[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]amino]cyclohexyl]methyl]cyclohexan-1-amine

C26H48N2 — CID 6480547

IUPAC4-[[4-[[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]amino]cyclohexyl]methyl]cyclohexan-1-amine
SMILESCC(C)=CCC/C(C)=C/CCC(C)NC1CCC(CC2CCC(N)CC2)CC1
InChIInChI=1S/C26H48N2/c1-20(2)7-5-8-21(3)9-6-10-22(4)28-26-17-13-24(14-18-26)19-23-11-15-25(27)16-12-23/h7,9,22-26,28H,5-6,8,10-19,27H2,1-4H3/b21-9+
InChIKeyZWXUAMJLMBOGHZ-ZVBGSRNCSA-N
MW388.68 g/mol
LogP6.90
Rot. Bonds10

About 4-[[4-[[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]amino]cyclohexyl]methyl]cyclohexan-1-amine

4-[[4-[[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]amino]cyclohexyl]methyl]cyclohexan-1-amine (PubChem CID 6480547) has the molecular formula C26H48N2 and a molecular weight of 388.68 g/mol. Its IUPAC name is 4-[[4-[[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]amino]cyclohexyl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[[4-[[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]amino]cyclohexyl]methyl]cyclohexan-1-amine
PubChem CID6480547
Molecular FormulaC26H48N2
Molecular Weight388.68 g/mol
Exact Mass388.38
IUPAC Name4-[[4-[[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]amino]cyclohexyl]methyl]cyclohexan-1-amine
SMILESCC(C)=CCC/C(C)=C/CCC(C)NC1CCC(CC2CCC(N)CC2)CC1
InChIInChI=1S/C26H48N2/c1-20(2)7-5-8-21(3)9-6-10-22(4)28-26-17-13-24(14-18-26)19-23-11-15-25(27)16-12-23/h7,9,22-26,28H,5-6,8,10-19,27H2,1-4H3/b21-9+
InChIKeyZWXUAMJLMBOGHZ-ZVBGSRNCSA-N
XLogP6.90
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.68
LogP ≤ 56.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]amino]cyclohexyl]methyl]cyclohexan-1-amine?
The IUPAC name of 4-[[4-[[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]amino]cyclohexyl]methyl]cyclohexan-1-amine (CID 6480547) is 4-[[4-[[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]amino]cyclohexyl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[[4-[[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]amino]cyclohexyl]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[[4-[[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]amino]cyclohexyl]methyl]cyclohexan-1-amine is CC(C)=CCC/C(C)=C/CCC(C)NC1CCC(CC2CCC(N)CC2)CC1.
What is the InChIKey of 4-[[4-[[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]amino]cyclohexyl]methyl]cyclohexan-1-amine?
The InChIKey is ZWXUAMJLMBOGHZ-ZVBGSRNCSA-N. The full InChI is InChI=1S/C26H48N2/c1-20(2)7-5-8-21(3)9-6-10-22(4)28-26-17-13-24(14-18-26)19-23-11-15-25(27)16-12-23/h7,9,22-26,28H,5-6,8,10-19,27H2,1-4H3/b21-9+.
What are the key properties of 4-[[4-[[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]amino]cyclohexyl]methyl]cyclohexan-1-amine?
4-[[4-[[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]amino]cyclohexyl]methyl]cyclohexan-1-amine has a molecular weight of 388.68 g/mol, XLogP of 6.90, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]amino]cyclohexyl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 6480547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).