1-(3-ethylcyclopentyl)-N-methyl-1-(oxolan-3-yl)methanamine

C13H25NO — CID 65410427

IUPAC1-(3-ethylcyclopentyl)-N-methyl-1-(oxolan-3-yl)methanamine
SMILESCCC1CCC(C(NC)C2CCOC2)C1
InChIInChI=1S/C13H25NO/c1-3-10-4-5-11(8-10)13(14-2)12-6-7-15-9-12/h10-14H,3-9H2,1-2H3
InChIKeyOXIXMNIKGSBDDL-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.44
Rot. Bonds4

About 1-(3-ethylcyclopentyl)-N-methyl-1-(oxolan-3-yl)methanamine

1-(3-ethylcyclopentyl)-N-methyl-1-(oxolan-3-yl)methanamine (PubChem CID 65410427) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(3-ethylcyclopentyl)-N-methyl-1-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name1-(3-ethylcyclopentyl)-N-methyl-1-(oxolan-3-yl)methanamine
PubChem CID65410427
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(3-ethylcyclopentyl)-N-methyl-1-(oxolan-3-yl)methanamine
SMILESCCC1CCC(C(NC)C2CCOC2)C1
InChIInChI=1S/C13H25NO/c1-3-10-4-5-11(8-10)13(14-2)12-6-7-15-9-12/h10-14H,3-9H2,1-2H3
InChIKeyOXIXMNIKGSBDDL-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclopentyl)-N-methyl-1-(oxolan-3-yl)methanamine?
The IUPAC name of 1-(3-ethylcyclopentyl)-N-methyl-1-(oxolan-3-yl)methanamine (CID 65410427) is 1-(3-ethylcyclopentyl)-N-methyl-1-(oxolan-3-yl)methanamine.
What is the SMILES notation for 1-(3-ethylcyclopentyl)-N-methyl-1-(oxolan-3-yl)methanamine?
The canonical SMILES for 1-(3-ethylcyclopentyl)-N-methyl-1-(oxolan-3-yl)methanamine is CCC1CCC(C(NC)C2CCOC2)C1.
What is the InChIKey of 1-(3-ethylcyclopentyl)-N-methyl-1-(oxolan-3-yl)methanamine?
The InChIKey is OXIXMNIKGSBDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-10-4-5-11(8-10)13(14-2)12-6-7-15-9-12/h10-14H,3-9H2,1-2H3.
What are the key properties of 1-(3-ethylcyclopentyl)-N-methyl-1-(oxolan-3-yl)methanamine?
1-(3-ethylcyclopentyl)-N-methyl-1-(oxolan-3-yl)methanamine has a molecular weight of 211.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclopentyl)-N-methyl-1-(oxolan-3-yl)methanamine is sourced from PubChem (CID 65410427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).