2,4-dipropylcyclohexane-1,1-diamine

C12H26N2 — CID 22921284

IUPAC2,4-dipropylcyclohexane-1,1-diamine
SMILESCCCC1CCC(N)(N)C(CCC)C1
InChIInChI=1S/C12H26N2/c1-3-5-10-7-8-12(13,14)11(9-10)6-4-2/h10-11H,3-9,13-14H2,1-2H3
InChIKeyKEJAEOAUTNCPNR-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.62
Rot. Bonds4

About 2,4-dipropylcyclohexane-1,1-diamine

2,4-dipropylcyclohexane-1,1-diamine (PubChem CID 22921284) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2,4-dipropylcyclohexane-1,1-diamine.

Molecular Properties

Compound Name2,4-dipropylcyclohexane-1,1-diamine
PubChem CID22921284
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2,4-dipropylcyclohexane-1,1-diamine
SMILESCCCC1CCC(N)(N)C(CCC)C1
InChIInChI=1S/C12H26N2/c1-3-5-10-7-8-12(13,14)11(9-10)6-4-2/h10-11H,3-9,13-14H2,1-2H3
InChIKeyKEJAEOAUTNCPNR-UHFFFAOYSA-N
XLogP2.62
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.62
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 2,4-dipropylcyclohexane-1,1-diamine?
The IUPAC name of 2,4-dipropylcyclohexane-1,1-diamine (CID 22921284) is 2,4-dipropylcyclohexane-1,1-diamine.
What is the SMILES notation for 2,4-dipropylcyclohexane-1,1-diamine?
The canonical SMILES for 2,4-dipropylcyclohexane-1,1-diamine is CCCC1CCC(N)(N)C(CCC)C1.
What is the InChIKey of 2,4-dipropylcyclohexane-1,1-diamine?
The InChIKey is KEJAEOAUTNCPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-3-5-10-7-8-12(13,14)11(9-10)6-4-2/h10-11H,3-9,13-14H2,1-2H3.
What are the key properties of 2,4-dipropylcyclohexane-1,1-diamine?
2,4-dipropylcyclohexane-1,1-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dipropylcyclohexane-1,1-diamine is sourced from PubChem (CID 22921284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).