1-cyclohexyl-10,10-dimethylundeca-3,7-diene-1,11-diamine

C19H36N2 — CID 54418543

IUPAC1-cyclohexyl-10,10-dimethylundeca-3,7-diene-1,11-diamine
SMILESCC(C)(CN)CC=CCCC=CCC(N)C1CCCCC1
InChIInChI=1S/C19H36N2/c1-19(2,16-20)15-11-6-4-3-5-10-14-18(21)17-12-8-7-9-13-17/h5-6,10-11,17-18H,3-4,7-9,12-16,20-21H2,1-2H3
InChIKeyVZDROFADFXLKCL-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.55
Rot. Bonds9

About 1-cyclohexyl-10,10-dimethylundeca-3,7-diene-1,11-diamine

1-cyclohexyl-10,10-dimethylundeca-3,7-diene-1,11-diamine (PubChem CID 54418543) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 1-cyclohexyl-10,10-dimethylundeca-3,7-diene-1,11-diamine.

Molecular Properties

Compound Name1-cyclohexyl-10,10-dimethylundeca-3,7-diene-1,11-diamine
PubChem CID54418543
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name1-cyclohexyl-10,10-dimethylundeca-3,7-diene-1,11-diamine
SMILESCC(C)(CN)CC=CCCC=CCC(N)C1CCCCC1
InChIInChI=1S/C19H36N2/c1-19(2,16-20)15-11-6-4-3-5-10-14-18(21)17-12-8-7-9-13-17/h5-6,10-11,17-18H,3-4,7-9,12-16,20-21H2,1-2H3
InChIKeyVZDROFADFXLKCL-UHFFFAOYSA-N
XLogP4.55
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-10,10-dimethylundeca-3,7-diene-1,11-diamine?
The IUPAC name of 1-cyclohexyl-10,10-dimethylundeca-3,7-diene-1,11-diamine (CID 54418543) is 1-cyclohexyl-10,10-dimethylundeca-3,7-diene-1,11-diamine.
What is the SMILES notation for 1-cyclohexyl-10,10-dimethylundeca-3,7-diene-1,11-diamine?
The canonical SMILES for 1-cyclohexyl-10,10-dimethylundeca-3,7-diene-1,11-diamine is CC(C)(CN)CC=CCCC=CCC(N)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-10,10-dimethylundeca-3,7-diene-1,11-diamine?
The InChIKey is VZDROFADFXLKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-19(2,16-20)15-11-6-4-3-5-10-14-18(21)17-12-8-7-9-13-17/h5-6,10-11,17-18H,3-4,7-9,12-16,20-21H2,1-2H3.
What are the key properties of 1-cyclohexyl-10,10-dimethylundeca-3,7-diene-1,11-diamine?
1-cyclohexyl-10,10-dimethylundeca-3,7-diene-1,11-diamine has a molecular weight of 292.51 g/mol, XLogP of 4.55, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-10,10-dimethylundeca-3,7-diene-1,11-diamine is sourced from PubChem (CID 54418543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).