N-(2,4-dimethylcyclohexyl)-N-ethylazetidin-3-amine

C13H26N2 — CID 66181449

IUPACN-(2,4-dimethylcyclohexyl)-N-ethylazetidin-3-amine
SMILESCCN(C1CNC1)C1CCC(C)CC1C
InChIInChI=1S/C13H26N2/c1-4-15(12-8-14-9-12)13-6-5-10(2)7-11(13)3/h10-14H,4-9H2,1-3H3
InChIKeyIGRABVNGRBHHJB-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.10
Rot. Bonds3

About N-(2,4-dimethylcyclohexyl)-N-ethylazetidin-3-amine

N-(2,4-dimethylcyclohexyl)-N-ethylazetidin-3-amine (PubChem CID 66181449) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-(2,4-dimethylcyclohexyl)-N-ethylazetidin-3-amine.

Molecular Properties

Compound NameN-(2,4-dimethylcyclohexyl)-N-ethylazetidin-3-amine
PubChem CID66181449
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-(2,4-dimethylcyclohexyl)-N-ethylazetidin-3-amine
SMILESCCN(C1CNC1)C1CCC(C)CC1C
InChIInChI=1S/C13H26N2/c1-4-15(12-8-14-9-12)13-6-5-10(2)7-11(13)3/h10-14H,4-9H2,1-3H3
InChIKeyIGRABVNGRBHHJB-UHFFFAOYSA-N
XLogP2.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylcyclohexyl)-N-ethylazetidin-3-amine?
The IUPAC name of N-(2,4-dimethylcyclohexyl)-N-ethylazetidin-3-amine (CID 66181449) is N-(2,4-dimethylcyclohexyl)-N-ethylazetidin-3-amine.
What is the SMILES notation for N-(2,4-dimethylcyclohexyl)-N-ethylazetidin-3-amine?
The canonical SMILES for N-(2,4-dimethylcyclohexyl)-N-ethylazetidin-3-amine is CCN(C1CNC1)C1CCC(C)CC1C.
What is the InChIKey of N-(2,4-dimethylcyclohexyl)-N-ethylazetidin-3-amine?
The InChIKey is IGRABVNGRBHHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-4-15(12-8-14-9-12)13-6-5-10(2)7-11(13)3/h10-14H,4-9H2,1-3H3.
What are the key properties of N-(2,4-dimethylcyclohexyl)-N-ethylazetidin-3-amine?
N-(2,4-dimethylcyclohexyl)-N-ethylazetidin-3-amine has a molecular weight of 210.36 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylcyclohexyl)-N-ethylazetidin-3-amine is sourced from PubChem (CID 66181449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).