1-N-ethyl-1-N,3,3-trimethylcyclohexane-1,2-diamine

C11H24N2 — CID 79829556

IUPAC1-N-ethyl-1-N,3,3-trimethylcyclohexane-1,2-diamine
SMILESCCN(C)C1CCCC(C)(C)C1N
InChIInChI=1S/C11H24N2/c1-5-13(4)9-7-6-8-11(2,3)10(9)12/h9-10H,5-8,12H2,1-4H3
InChIKeyNPJADCXARKQFGR-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.84
Rot. Bonds2

About 1-N-ethyl-1-N,3,3-trimethylcyclohexane-1,2-diamine

1-N-ethyl-1-N,3,3-trimethylcyclohexane-1,2-diamine (PubChem CID 79829556) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 1-N-ethyl-1-N,3,3-trimethylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N,3,3-trimethylcyclohexane-1,2-diamine
PubChem CID79829556
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name1-N-ethyl-1-N,3,3-trimethylcyclohexane-1,2-diamine
SMILESCCN(C)C1CCCC(C)(C)C1N
InChIInChI=1S/C11H24N2/c1-5-13(4)9-7-6-8-11(2,3)10(9)12/h9-10H,5-8,12H2,1-4H3
InChIKeyNPJADCXARKQFGR-UHFFFAOYSA-N
XLogP1.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,3,3-trimethyl-1-N-propylcyclohexane-1,2-diamine
CID 79829475
1-N-ethyl-3,3-dimethyl-1-N-propylcyclohexane-1,2-diamine
CID 79828501
1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine
CID 79828435
6-[[ethyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79852215
1-N,3,3-trimethyl-1-N-[(2-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 79828839
1-N-ethyl-1-N-(1-methoxypropan-2-yl)-3,3-dimethylcyclohexane-1,2-diamine
CID 79828360
2-N-ethyl-2-N-methylcyclododecane-1,2-diamine
CID 43263336
1-N-cyclopentyl-1-N-ethyl-3,3-dimethylcyclopentane-1,2-diamine
CID 79864399
1-N,3,3-trimethyl-1-N-(3-methylcyclohexyl)cyclohexane-1,2-diamine
CID 79828438
6-[[cyclohexyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79852212
2,2-dimethyl-6-[[methyl-(3-methylcyclohexyl)amino]methyl]cyclohexan-1-amine
CID 79852665
6-(4-ethoxyphenoxy)-2,2-dimethylcyclohexan-1-amine
CID 79836385

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N,3,3-trimethylcyclohexane-1,2-diamine?
The IUPAC name of 1-N-ethyl-1-N,3,3-trimethylcyclohexane-1,2-diamine (CID 79829556) is 1-N-ethyl-1-N,3,3-trimethylcyclohexane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-1-N,3,3-trimethylcyclohexane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-1-N,3,3-trimethylcyclohexane-1,2-diamine is CCN(C)C1CCCC(C)(C)C1N.
What is the InChIKey of 1-N-ethyl-1-N,3,3-trimethylcyclohexane-1,2-diamine?
The InChIKey is NPJADCXARKQFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-5-13(4)9-7-6-8-11(2,3)10(9)12/h9-10H,5-8,12H2,1-4H3.
What are the key properties of 1-N-ethyl-1-N,3,3-trimethylcyclohexane-1,2-diamine?
1-N-ethyl-1-N,3,3-trimethylcyclohexane-1,2-diamine has a molecular weight of 184.33 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N,3,3-trimethylcyclohexane-1,2-diamine is sourced from PubChem (CID 79829556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).