N'-ethyl-N,N-dimethyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine

C13H28N2 — CID 784458

IUPACN'-ethyl-N,N-dimethyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine
SMILESCCN(CCN(C)C)C1CCC(C)CC1
InChIInChI=1S/C13H28N2/c1-5-15(11-10-14(3)4)13-8-6-12(2)7-9-13/h12-13H,5-11H2,1-4H3
InChIKeyPUMUHCCYUMEVOF-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.45
Rot. Bonds5

About N'-ethyl-N,N-dimethyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine

N'-ethyl-N,N-dimethyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine (PubChem CID 784458) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N'-ethyl-N,N-dimethyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N,N-dimethyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine
PubChem CID784458
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN'-ethyl-N,N-dimethyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine
SMILESCCN(CCN(C)C)C1CCC(C)CC1
InChIInChI=1S/C13H28N2/c1-5-15(11-10-14(3)4)13-8-6-12(2)7-9-13/h12-13H,5-11H2,1-4H3
InChIKeyPUMUHCCYUMEVOF-UHFFFAOYSA-N
XLogP2.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N,N-dimethyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N,N-dimethyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine (CID 784458) is N'-ethyl-N,N-dimethyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N,N-dimethyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N,N-dimethyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine is CCN(CCN(C)C)C1CCC(C)CC1.
What is the InChIKey of N'-ethyl-N,N-dimethyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine?
The InChIKey is PUMUHCCYUMEVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-15(11-10-14(3)4)13-8-6-12(2)7-9-13/h12-13H,5-11H2,1-4H3.
What are the key properties of N'-ethyl-N,N-dimethyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine?
N'-ethyl-N,N-dimethyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N,N-dimethyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine is sourced from PubChem (CID 784458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).