1,3-diethyl-6-methylcyclohex-4-ene-1,3-diamine

C11H22N2 — CID 67750329

IUPAC1,3-diethyl-6-methylcyclohex-4-ene-1,3-diamine
SMILESCCC1(N)C=CC(C)C(N)(CC)C1
InChIInChI=1S/C11H22N2/c1-4-10(12)7-6-9(3)11(13,5-2)8-10/h6-7,9H,4-5,8,12-13H2,1-3H3
InChIKeyPJMQVXDDKRBORO-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.80
Rot. Bonds2

About 1,3-diethyl-6-methylcyclohex-4-ene-1,3-diamine

1,3-diethyl-6-methylcyclohex-4-ene-1,3-diamine (PubChem CID 67750329) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1,3-diethyl-6-methylcyclohex-4-ene-1,3-diamine.

Molecular Properties

Compound Name1,3-diethyl-6-methylcyclohex-4-ene-1,3-diamine
PubChem CID67750329
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1,3-diethyl-6-methylcyclohex-4-ene-1,3-diamine
SMILESCCC1(N)C=CC(C)C(N)(CC)C1
InChIInChI=1S/C11H22N2/c1-4-10(12)7-6-9(3)11(13,5-2)8-10/h6-7,9H,4-5,8,12-13H2,1-3H3
InChIKeyPJMQVXDDKRBORO-UHFFFAOYSA-N
XLogP1.80
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.80
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 1,3-diethyl-6-methylcyclohex-4-ene-1,3-diamine?
The IUPAC name of 1,3-diethyl-6-methylcyclohex-4-ene-1,3-diamine (CID 67750329) is 1,3-diethyl-6-methylcyclohex-4-ene-1,3-diamine.
What is the SMILES notation for 1,3-diethyl-6-methylcyclohex-4-ene-1,3-diamine?
The canonical SMILES for 1,3-diethyl-6-methylcyclohex-4-ene-1,3-diamine is CCC1(N)C=CC(C)C(N)(CC)C1.
What is the InChIKey of 1,3-diethyl-6-methylcyclohex-4-ene-1,3-diamine?
The InChIKey is PJMQVXDDKRBORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-10(12)7-6-9(3)11(13,5-2)8-10/h6-7,9H,4-5,8,12-13H2,1-3H3.
What are the key properties of 1,3-diethyl-6-methylcyclohex-4-ene-1,3-diamine?
1,3-diethyl-6-methylcyclohex-4-ene-1,3-diamine has a molecular weight of 182.31 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-6-methylcyclohex-4-ene-1,3-diamine is sourced from PubChem (CID 67750329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).