4-ethyl-2-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine

C12H26N2 — CID 16781866

IUPAC4-ethyl-2-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine
SMILESCCC1CCC(N)C(N(C)C(C)C)C1
InChIInChI=1S/C12H26N2/c1-5-10-6-7-11(13)12(8-10)14(4)9(2)3/h9-12H,5-8,13H2,1-4H3
InChIKeyRXZOIICJDTZVTB-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.23
Rot. Bonds3

About 4-ethyl-2-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine

4-ethyl-2-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine (PubChem CID 16781866) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 4-ethyl-2-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name4-ethyl-2-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine
PubChem CID16781866
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name4-ethyl-2-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine
SMILESCCC1CCC(N)C(N(C)C(C)C)C1
InChIInChI=1S/C12H26N2/c1-5-10-6-7-11(13)12(8-10)14(4)9(2)3/h9-12H,5-8,13H2,1-4H3
InChIKeyRXZOIICJDTZVTB-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-5-ethyl-N-methyl-N-propan-2-ylcyclohexan-1-amine
CID 43293397
2-N,4-diethyl-2-N-propan-2-ylcyclohexane-1,2-diamine
CID 43265755
4-ethyl-2-N-(2-methylpropyl)-2-N-propan-2-ylcyclohexane-1,2-diamine
CID 54999761
2-N,4-diethyl-2-N-methylcyclohexane-1,2-diamine
CID 43263387
2-N-(cyclopentylmethyl)-4-ethyl-2-N-methylcyclohexane-1,2-diamine
CID 63632460
4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)cyclohexane-1,2-diamine
CID 63980553
2-N-(cyclopropylmethyl)-2-N,4-diethylcyclohexane-1,2-diamine
CID 63955967
2-N,4-diethyl-2-N-(1-methoxypropan-2-yl)cyclohexane-1,2-diamine
CID 55011662
2-N-cyclopropyl-4-ethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine
CID 78974066
2-(aminomethyl)-5-ethyl-N-methyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine
CID 43569707
1,3-diethylcyclopentane
CID 530396
2-N-(4-ethylcyclohexyl)-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 63469238

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine?
The IUPAC name of 4-ethyl-2-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine (CID 16781866) is 4-ethyl-2-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine.
What is the SMILES notation for 4-ethyl-2-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine?
The canonical SMILES for 4-ethyl-2-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine is CCC1CCC(N)C(N(C)C(C)C)C1.
What is the InChIKey of 4-ethyl-2-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine?
The InChIKey is RXZOIICJDTZVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-10-6-7-11(13)12(8-10)14(4)9(2)3/h9-12H,5-8,13H2,1-4H3.
What are the key properties of 4-ethyl-2-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine?
4-ethyl-2-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine is sourced from PubChem (CID 16781866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).