1-N,1-N-dimethylcyclohexane-1,3-diamine

C8H18N2 — CID 53249858

IUPAC1-N,1-N-dimethylcyclohexane-1,3-diamine
SMILESCN(C)C1CCCC(N)C1
InChIInChI=1S/C8H18N2/c1-10(2)8-5-3-4-7(9)6-8/h7-8H,3-6,9H2,1-2H3
InChIKeyKKGNWXHXFXNADS-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.82
Rot. Bonds1

About 1-N,1-N-dimethylcyclohexane-1,3-diamine

1-N,1-N-dimethylcyclohexane-1,3-diamine (PubChem CID 53249858) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 1-N,1-N-dimethylcyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethylcyclohexane-1,3-diamine
PubChem CID53249858
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name1-N,1-N-dimethylcyclohexane-1,3-diamine
SMILESCN(C)C1CCCC(N)C1
InChIInChI=1S/C8H18N2/c1-10(2)8-5-3-4-7(9)6-8/h7-8H,3-6,9H2,1-2H3
InChIKeyKKGNWXHXFXNADS-UHFFFAOYSA-N
XLogP0.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethylcyclohexane-1,3-diamine?
The IUPAC name of 1-N,1-N-dimethylcyclohexane-1,3-diamine (CID 53249858) is 1-N,1-N-dimethylcyclohexane-1,3-diamine.
What is the SMILES notation for 1-N,1-N-dimethylcyclohexane-1,3-diamine?
The canonical SMILES for 1-N,1-N-dimethylcyclohexane-1,3-diamine is CN(C)C1CCCC(N)C1.
What is the InChIKey of 1-N,1-N-dimethylcyclohexane-1,3-diamine?
The InChIKey is KKGNWXHXFXNADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-10(2)8-5-3-4-7(9)6-8/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 1-N,1-N-dimethylcyclohexane-1,3-diamine?
1-N,1-N-dimethylcyclohexane-1,3-diamine has a molecular weight of 142.25 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethylcyclohexane-1,3-diamine is sourced from PubChem (CID 53249858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).