1,3,4,6-tetramethylcyclohex-4-ene-1,3-diamine

C10H20N2 — CID 66701661

IUPAC1,3,4,6-tetramethylcyclohex-4-ene-1,3-diamine
SMILESCC1=CC(C)C(C)(N)CC1(C)N
InChIInChI=1S/C10H20N2/c1-7-5-8(2)10(4,12)6-9(7,3)11/h5,7H,6,11-12H2,1-4H3
InChIKeyFQYTUPYMTLWOOF-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.41
Rot. Bonds

About 1,3,4,6-tetramethylcyclohex-4-ene-1,3-diamine

1,3,4,6-tetramethylcyclohex-4-ene-1,3-diamine (PubChem CID 66701661) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1,3,4,6-tetramethylcyclohex-4-ene-1,3-diamine.

Molecular Properties

Compound Name1,3,4,6-tetramethylcyclohex-4-ene-1,3-diamine
PubChem CID66701661
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1,3,4,6-tetramethylcyclohex-4-ene-1,3-diamine
SMILESCC1=CC(C)C(C)(N)CC1(C)N
InChIInChI=1S/C10H20N2/c1-7-5-8(2)10(4,12)6-9(7,3)11/h5,7H,6,11-12H2,1-4H3
InChIKeyFQYTUPYMTLWOOF-UHFFFAOYSA-N
XLogP1.41
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.41
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 1,3,4,6-tetramethylcyclohex-4-ene-1,3-diamine?
The IUPAC name of 1,3,4,6-tetramethylcyclohex-4-ene-1,3-diamine (CID 66701661) is 1,3,4,6-tetramethylcyclohex-4-ene-1,3-diamine.
What is the SMILES notation for 1,3,4,6-tetramethylcyclohex-4-ene-1,3-diamine?
The canonical SMILES for 1,3,4,6-tetramethylcyclohex-4-ene-1,3-diamine is CC1=CC(C)C(C)(N)CC1(C)N.
What is the InChIKey of 1,3,4,6-tetramethylcyclohex-4-ene-1,3-diamine?
The InChIKey is FQYTUPYMTLWOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-7-5-8(2)10(4,12)6-9(7,3)11/h5,7H,6,11-12H2,1-4H3.
What are the key properties of 1,3,4,6-tetramethylcyclohex-4-ene-1,3-diamine?
1,3,4,6-tetramethylcyclohex-4-ene-1,3-diamine has a molecular weight of 168.28 g/mol, XLogP of 1.41, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,6-tetramethylcyclohex-4-ene-1,3-diamine is sourced from PubChem (CID 66701661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).