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

C22H42N2 — CID 57308248

IUPAC1-cyclohexyl-10-pentylundeca-3,7-diene-1,11-diamine
SMILESCCCCCC(CN)CC=CCCC=CCC(N)C1CCCCC1
InChIInChI=1S/C22H42N2/c1-2-3-9-14-20(19-23)15-10-6-4-5-7-13-18-22(24)21-16-11-8-12-17-21/h6-7,10,13,20-22H,2-5,8-9,11-12,14-19,23-24H2,1H3
InChIKeyMMCBBMVVFJROEW-UHFFFAOYSA-N
MW334.59 g/mol
LogP5.72
Rot. Bonds13

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

1-cyclohexyl-10-pentylundeca-3,7-diene-1,11-diamine (PubChem CID 57308248) has the molecular formula C22H42N2 and a molecular weight of 334.59 g/mol. Its IUPAC name is 1-cyclohexyl-10-pentylundeca-3,7-diene-1,11-diamine.

Molecular Properties

Compound Name1-cyclohexyl-10-pentylundeca-3,7-diene-1,11-diamine
PubChem CID57308248
Molecular FormulaC22H42N2
Molecular Weight334.59 g/mol
Exact Mass334.33
IUPAC Name1-cyclohexyl-10-pentylundeca-3,7-diene-1,11-diamine
SMILESCCCCCC(CN)CC=CCCC=CCC(N)C1CCCCC1
InChIInChI=1S/C22H42N2/c1-2-3-9-14-20(19-23)15-10-6-4-5-7-13-18-22(24)21-16-11-8-12-17-21/h6-7,10,13,20-22H,2-5,8-9,11-12,14-19,23-24H2,1H3
InChIKeyMMCBBMVVFJROEW-UHFFFAOYSA-N
XLogP5.72
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.59
LogP ≤ 55.72
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-pentylundeca-3,7-diene-1,11-diamine?
The IUPAC name of 1-cyclohexyl-10-pentylundeca-3,7-diene-1,11-diamine (CID 57308248) is 1-cyclohexyl-10-pentylundeca-3,7-diene-1,11-diamine.
What is the SMILES notation for 1-cyclohexyl-10-pentylundeca-3,7-diene-1,11-diamine?
The canonical SMILES for 1-cyclohexyl-10-pentylundeca-3,7-diene-1,11-diamine is CCCCCC(CN)CC=CCCC=CCC(N)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-10-pentylundeca-3,7-diene-1,11-diamine?
The InChIKey is MMCBBMVVFJROEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2/c1-2-3-9-14-20(19-23)15-10-6-4-5-7-13-18-22(24)21-16-11-8-12-17-21/h6-7,10,13,20-22H,2-5,8-9,11-12,14-19,23-24H2,1H3.
What are the key properties of 1-cyclohexyl-10-pentylundeca-3,7-diene-1,11-diamine?
1-cyclohexyl-10-pentylundeca-3,7-diene-1,11-diamine has a molecular weight of 334.59 g/mol, XLogP of 5.72, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-10-pentylundeca-3,7-diene-1,11-diamine is sourced from PubChem (CID 57308248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).