2,4,6-trimethylcyclohexene-1,3-diamine

C9H18N2 — CID 122581312

IUPAC2,4,6-trimethylcyclohexene-1,3-diamine
SMILESCC1=C(N)C(C)CC(C)C1N
InChIInChI=1S/C9H18N2/c1-5-4-6(2)9(11)7(3)8(5)10/h5-6,8H,4,10-11H2,1-3H3
InChIKeyBMQHMHGEOGFLKM-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.22
Rot. Bonds

About 2,4,6-trimethylcyclohexene-1,3-diamine

2,4,6-trimethylcyclohexene-1,3-diamine (PubChem CID 122581312) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2,4,6-trimethylcyclohexene-1,3-diamine.

Molecular Properties

Compound Name2,4,6-trimethylcyclohexene-1,3-diamine
PubChem CID122581312
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2,4,6-trimethylcyclohexene-1,3-diamine
SMILESCC1=C(N)C(C)CC(C)C1N
InChIInChI=1S/C9H18N2/c1-5-4-6(2)9(11)7(3)8(5)10/h5-6,8H,4,10-11H2,1-3H3
InChIKeyBMQHMHGEOGFLKM-UHFFFAOYSA-N
XLogP1.22
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethylcyclohexene-1,3-diamine?
The IUPAC name of 2,4,6-trimethylcyclohexene-1,3-diamine (CID 122581312) is 2,4,6-trimethylcyclohexene-1,3-diamine.
What is the SMILES notation for 2,4,6-trimethylcyclohexene-1,3-diamine?
The canonical SMILES for 2,4,6-trimethylcyclohexene-1,3-diamine is CC1=C(N)C(C)CC(C)C1N.
What is the InChIKey of 2,4,6-trimethylcyclohexene-1,3-diamine?
The InChIKey is BMQHMHGEOGFLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-4-6(2)9(11)7(3)8(5)10/h5-6,8H,4,10-11H2,1-3H3.
What are the key properties of 2,4,6-trimethylcyclohexene-1,3-diamine?
2,4,6-trimethylcyclohexene-1,3-diamine has a molecular weight of 154.26 g/mol, XLogP of 1.22, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethylcyclohexene-1,3-diamine is sourced from PubChem (CID 122581312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).