N'-methyl-N'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine

C12H26N2 — CID 62681490

IUPACN'-methyl-N'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine
SMILESCC1CC(N(C)CCN)CC(C)(C)C1
InChIInChI=1S/C12H26N2/c1-10-7-11(14(4)6-5-13)9-12(2,3)8-10/h10-11H,5-9,13H2,1-4H3
InChIKeyNOJHPZYAIYTMNO-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.09
Rot. Bonds3

About N'-methyl-N'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine

N'-methyl-N'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine (PubChem CID 62681490) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N'-methyl-N'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine
PubChem CID62681490
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN'-methyl-N'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine
SMILESCC1CC(N(C)CCN)CC(C)(C)C1
InChIInChI=1S/C12H26N2/c1-10-7-11(14(4)6-5-13)9-12(2,3)8-10/h10-11H,5-9,13H2,1-4H3
InChIKeyNOJHPZYAIYTMNO-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine (CID 62681490) is N'-methyl-N'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine is CC1CC(N(C)CCN)CC(C)(C)C1.
What is the InChIKey of N'-methyl-N'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine?
The InChIKey is NOJHPZYAIYTMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-10-7-11(14(4)6-5-13)9-12(2,3)8-10/h10-11H,5-9,13H2,1-4H3.
What are the key properties of N'-methyl-N'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine?
N'-methyl-N'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine is sourced from PubChem (CID 62681490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).