1-N,3-N,5-trimethylcyclohexane-1,3-diamine

C9H20N2 — CID 20705171

IUPAC1-N,3-N,5-trimethylcyclohexane-1,3-diamine
SMILESCNC1CC(C)CC(NC)C1
InChIInChI=1S/C9H20N2/c1-7-4-8(10-2)6-9(5-7)11-3/h7-11H,4-6H2,1-3H3
InChIKeyNIGATBAYQSLBQC-UHFFFAOYSA-N
MW156.27 g/mol
LogP0.98
Rot. Bonds2

About 1-N,3-N,5-trimethylcyclohexane-1,3-diamine

1-N,3-N,5-trimethylcyclohexane-1,3-diamine (PubChem CID 20705171) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-N,3-N,5-trimethylcyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N,5-trimethylcyclohexane-1,3-diamine
PubChem CID20705171
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1-N,3-N,5-trimethylcyclohexane-1,3-diamine
SMILESCNC1CC(C)CC(NC)C1
InChIInChI=1S/C9H20N2/c1-7-4-8(10-2)6-9(5-7)11-3/h7-11H,4-6H2,1-3H3
InChIKeyNIGATBAYQSLBQC-UHFFFAOYSA-N
XLogP0.98
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,5-trimethylcyclohexane-1,3-diamine?
The IUPAC name of 1-N,3-N,5-trimethylcyclohexane-1,3-diamine (CID 20705171) is 1-N,3-N,5-trimethylcyclohexane-1,3-diamine.
What is the SMILES notation for 1-N,3-N,5-trimethylcyclohexane-1,3-diamine?
The canonical SMILES for 1-N,3-N,5-trimethylcyclohexane-1,3-diamine is CNC1CC(C)CC(NC)C1.
What is the InChIKey of 1-N,3-N,5-trimethylcyclohexane-1,3-diamine?
The InChIKey is NIGATBAYQSLBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-7-4-8(10-2)6-9(5-7)11-3/h7-11H,4-6H2,1-3H3.
What are the key properties of 1-N,3-N,5-trimethylcyclohexane-1,3-diamine?
1-N,3-N,5-trimethylcyclohexane-1,3-diamine has a molecular weight of 156.27 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,5-trimethylcyclohexane-1,3-diamine is sourced from PubChem (CID 20705171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).