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

C14H27NO — CID 65330302

IUPAC1-(3-ethylcyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine
SMILESCCC1CCCC(C(NC)C2CCOC2)C1
InChIInChI=1S/C14H27NO/c1-3-11-5-4-6-12(9-11)14(15-2)13-7-8-16-10-13/h11-15H,3-10H2,1-2H3
InChIKeyXOWRDURILGRDTE-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.83
Rot. Bonds4

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

1-(3-ethylcyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine (PubChem CID 65330302) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(3-ethylcyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name1-(3-ethylcyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine
PubChem CID65330302
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(3-ethylcyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine
SMILESCCC1CCCC(C(NC)C2CCOC2)C1
InChIInChI=1S/C14H27NO/c1-3-11-5-4-6-12(9-11)14(15-2)13-7-8-16-10-13/h11-15H,3-10H2,1-2H3
InChIKeyXOWRDURILGRDTE-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine?
The IUPAC name of 1-(3-ethylcyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine (CID 65330302) is 1-(3-ethylcyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine.
What is the SMILES notation for 1-(3-ethylcyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine?
The canonical SMILES for 1-(3-ethylcyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine is CCC1CCCC(C(NC)C2CCOC2)C1.
What is the InChIKey of 1-(3-ethylcyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine?
The InChIKey is XOWRDURILGRDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-11-5-4-6-12(9-11)14(15-2)13-7-8-16-10-13/h11-15H,3-10H2,1-2H3.
What are the key properties of 1-(3-ethylcyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine?
1-(3-ethylcyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine has a molecular weight of 225.38 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine is sourced from PubChem (CID 65330302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).