1-N,4-N,4-N-trimethylcyclohexane-1,4-diamine

C9H20N2 — CID 18364430

IUPAC1-N,4-N,4-N-trimethylcyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)C)CC1
InChIInChI=1S/C9H20N2/c1-10-8-4-6-9(7-5-8)11(2)3/h8-10H,4-7H2,1-3H3
InChIKeyHJANWHMCHVPVJK-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.08
Rot. Bonds2

About 1-N,4-N,4-N-trimethylcyclohexane-1,4-diamine

1-N,4-N,4-N-trimethylcyclohexane-1,4-diamine (PubChem CID 18364430) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-N,4-N,4-N-trimethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N,4-N-trimethylcyclohexane-1,4-diamine
PubChem CID18364430
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1-N,4-N,4-N-trimethylcyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)C)CC1
InChIInChI=1S/C9H20N2/c1-10-8-4-6-9(7-5-8)11(2)3/h8-10H,4-7H2,1-3H3
InChIKeyHJANWHMCHVPVJK-UHFFFAOYSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N,4-N-trimethylcyclohexane-1,4-diamine?
The IUPAC name of 1-N,4-N,4-N-trimethylcyclohexane-1,4-diamine (CID 18364430) is 1-N,4-N,4-N-trimethylcyclohexane-1,4-diamine.
What is the SMILES notation for 1-N,4-N,4-N-trimethylcyclohexane-1,4-diamine?
The canonical SMILES for 1-N,4-N,4-N-trimethylcyclohexane-1,4-diamine is CNC1CCC(N(C)C)CC1.
What is the InChIKey of 1-N,4-N,4-N-trimethylcyclohexane-1,4-diamine?
The InChIKey is HJANWHMCHVPVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-10-8-4-6-9(7-5-8)11(2)3/h8-10H,4-7H2,1-3H3.
What are the key properties of 1-N,4-N,4-N-trimethylcyclohexane-1,4-diamine?
1-N,4-N,4-N-trimethylcyclohexane-1,4-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N,4-N-trimethylcyclohexane-1,4-diamine is sourced from PubChem (CID 18364430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).