1-(2-ethylcyclohexyl)-N-methyl-1-(oxolan-2-yl)methanamine

C14H27NO — CID 65328405

IUPAC1-(2-ethylcyclohexyl)-N-methyl-1-(oxolan-2-yl)methanamine
SMILESCCC1CCCCC1C(NC)C1CCCO1
InChIInChI=1S/C14H27NO/c1-3-11-7-4-5-8-12(11)14(15-2)13-9-6-10-16-13/h11-15H,3-10H2,1-2H3
InChIKeyCTOPDSYKBPKMKV-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds4

About 1-(2-ethylcyclohexyl)-N-methyl-1-(oxolan-2-yl)methanamine

1-(2-ethylcyclohexyl)-N-methyl-1-(oxolan-2-yl)methanamine (PubChem CID 65328405) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)-N-methyl-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)-N-methyl-1-(oxolan-2-yl)methanamine
PubChem CID65328405
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(2-ethylcyclohexyl)-N-methyl-1-(oxolan-2-yl)methanamine
SMILESCCC1CCCCC1C(NC)C1CCCO1
InChIInChI=1S/C14H27NO/c1-3-11-7-4-5-8-12(11)14(15-2)13-9-6-10-16-13/h11-15H,3-10H2,1-2H3
InChIKeyCTOPDSYKBPKMKV-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)-N-methyl-1-(oxolan-2-yl)methanamine?
The IUPAC name of 1-(2-ethylcyclohexyl)-N-methyl-1-(oxolan-2-yl)methanamine (CID 65328405) is 1-(2-ethylcyclohexyl)-N-methyl-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for 1-(2-ethylcyclohexyl)-N-methyl-1-(oxolan-2-yl)methanamine?
The canonical SMILES for 1-(2-ethylcyclohexyl)-N-methyl-1-(oxolan-2-yl)methanamine is CCC1CCCCC1C(NC)C1CCCO1.
What is the InChIKey of 1-(2-ethylcyclohexyl)-N-methyl-1-(oxolan-2-yl)methanamine?
The InChIKey is CTOPDSYKBPKMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-11-7-4-5-8-12(11)14(15-2)13-9-6-10-16-13/h11-15H,3-10H2,1-2H3.
What are the key properties of 1-(2-ethylcyclohexyl)-N-methyl-1-(oxolan-2-yl)methanamine?
1-(2-ethylcyclohexyl)-N-methyl-1-(oxolan-2-yl)methanamine has a molecular weight of 225.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)-N-methyl-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 65328405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).