4-N,4-N-diethyl-1-N-methylcyclohexane-1,4-diamine

C11H24N2 — CID 18364445

IUPAC4-N,4-N-diethyl-1-N-methylcyclohexane-1,4-diamine
SMILESCCN(CC)C1CCC(NC)CC1
InChIInChI=1S/C11H24N2/c1-4-13(5-2)11-8-6-10(12-3)7-9-11/h10-12H,4-9H2,1-3H3
InChIKeyAIQXMCQLJZEQKX-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.86
Rot. Bonds4

About 4-N,4-N-diethyl-1-N-methylcyclohexane-1,4-diamine

4-N,4-N-diethyl-1-N-methylcyclohexane-1,4-diamine (PubChem CID 18364445) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-1-N-methylcyclohexane-1,4-diamine
PubChem CID18364445
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name4-N,4-N-diethyl-1-N-methylcyclohexane-1,4-diamine
SMILESCCN(CC)C1CCC(NC)CC1
InChIInChI=1S/C11H24N2/c1-4-13(5-2)11-8-6-10(12-3)7-9-11/h10-12H,4-9H2,1-3H3
InChIKeyAIQXMCQLJZEQKX-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-1-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-1-N-methylcyclohexane-1,4-diamine (CID 18364445) is 4-N,4-N-diethyl-1-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-1-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-1-N-methylcyclohexane-1,4-diamine is CCN(CC)C1CCC(NC)CC1.
What is the InChIKey of 4-N,4-N-diethyl-1-N-methylcyclohexane-1,4-diamine?
The InChIKey is AIQXMCQLJZEQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-4-13(5-2)11-8-6-10(12-3)7-9-11/h10-12H,4-9H2,1-3H3.
What are the key properties of 4-N,4-N-diethyl-1-N-methylcyclohexane-1,4-diamine?
4-N,4-N-diethyl-1-N-methylcyclohexane-1,4-diamine has a molecular weight of 184.33 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-1-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 18364445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).