(3-ethylcyclohexyl)-(oxolan-2-yl)methanamine

C13H25NO — CID 65331148

IUPAC(3-ethylcyclohexyl)-(oxolan-2-yl)methanamine
SMILESCCC1CCCC(C(N)C2CCCO2)C1
InChIInChI=1S/C13H25NO/c1-2-10-5-3-6-11(9-10)13(14)12-7-4-8-15-12/h10-13H,2-9,14H2,1H3
InChIKeyIOTXGFPNYUNWMH-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.71
Rot. Bonds3

About (3-ethylcyclohexyl)-(oxolan-2-yl)methanamine

(3-ethylcyclohexyl)-(oxolan-2-yl)methanamine (PubChem CID 65331148) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-(oxolan-2-yl)methanamine.

Molecular Properties

Compound Name(3-ethylcyclohexyl)-(oxolan-2-yl)methanamine
PubChem CID65331148
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(3-ethylcyclohexyl)-(oxolan-2-yl)methanamine
SMILESCCC1CCCC(C(N)C2CCCO2)C1
InChIInChI=1S/C13H25NO/c1-2-10-5-3-6-11(9-10)13(14)12-7-4-8-15-12/h10-13H,2-9,14H2,1H3
InChIKeyIOTXGFPNYUNWMH-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-ethylcyclohexyl)-(oxolan-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl)-(oxolan-2-yl)methanamine?
The IUPAC name of (3-ethylcyclohexyl)-(oxolan-2-yl)methanamine (CID 65331148) is (3-ethylcyclohexyl)-(oxolan-2-yl)methanamine.
What is the SMILES notation for (3-ethylcyclohexyl)-(oxolan-2-yl)methanamine?
The canonical SMILES for (3-ethylcyclohexyl)-(oxolan-2-yl)methanamine is CCC1CCCC(C(N)C2CCCO2)C1.
What is the InChIKey of (3-ethylcyclohexyl)-(oxolan-2-yl)methanamine?
The InChIKey is IOTXGFPNYUNWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-2-10-5-3-6-11(9-10)13(14)12-7-4-8-15-12/h10-13H,2-9,14H2,1H3.
What are the key properties of (3-ethylcyclohexyl)-(oxolan-2-yl)methanamine?
(3-ethylcyclohexyl)-(oxolan-2-yl)methanamine has a molecular weight of 211.35 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclohexyl)-(oxolan-2-yl)methanamine is sourced from PubChem (CID 65331148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).