4-(3-cyclohexylpentan-3-yl)cyclohexane-1,1-diamine

C17H34N2 — CID 140875897

IUPAC4-(3-cyclohexylpentan-3-yl)cyclohexane-1,1-diamine
SMILESCCC(CC)(C1CCCCC1)C1CCC(N)(N)CC1
InChIInChI=1S/C17H34N2/c1-3-16(4-2,14-8-6-5-7-9-14)15-10-12-17(18,19)13-11-15/h14-15H,3-13,18-19H2,1-2H3
InChIKeyXOQOGJBALIPRRF-UHFFFAOYSA-N
MW266.47 g/mol
LogP4.18
Rot. Bonds4

About 4-(3-cyclohexylpentan-3-yl)cyclohexane-1,1-diamine

4-(3-cyclohexylpentan-3-yl)cyclohexane-1,1-diamine (PubChem CID 140875897) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 4-(3-cyclohexylpentan-3-yl)cyclohexane-1,1-diamine.

Molecular Properties

Compound Name4-(3-cyclohexylpentan-3-yl)cyclohexane-1,1-diamine
PubChem CID140875897
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name4-(3-cyclohexylpentan-3-yl)cyclohexane-1,1-diamine
SMILESCCC(CC)(C1CCCCC1)C1CCC(N)(N)CC1
InChIInChI=1S/C17H34N2/c1-3-16(4-2,14-8-6-5-7-9-14)15-10-12-17(18,19)13-11-15/h14-15H,3-13,18-19H2,1-2H3
InChIKeyXOQOGJBALIPRRF-UHFFFAOYSA-N
XLogP4.18
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclohexylpentan-3-yl)cyclohexane-1,1-diamine?
The IUPAC name of 4-(3-cyclohexylpentan-3-yl)cyclohexane-1,1-diamine (CID 140875897) is 4-(3-cyclohexylpentan-3-yl)cyclohexane-1,1-diamine.
What is the SMILES notation for 4-(3-cyclohexylpentan-3-yl)cyclohexane-1,1-diamine?
The canonical SMILES for 4-(3-cyclohexylpentan-3-yl)cyclohexane-1,1-diamine is CCC(CC)(C1CCCCC1)C1CCC(N)(N)CC1.
What is the InChIKey of 4-(3-cyclohexylpentan-3-yl)cyclohexane-1,1-diamine?
The InChIKey is XOQOGJBALIPRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-3-16(4-2,14-8-6-5-7-9-14)15-10-12-17(18,19)13-11-15/h14-15H,3-13,18-19H2,1-2H3.
What are the key properties of 4-(3-cyclohexylpentan-3-yl)cyclohexane-1,1-diamine?
4-(3-cyclohexylpentan-3-yl)cyclohexane-1,1-diamine has a molecular weight of 266.47 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclohexylpentan-3-yl)cyclohexane-1,1-diamine is sourced from PubChem (CID 140875897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).