N-(cyclohepta-1,3,5-trien-1-ylmethyl)-N-ethyl-2-methyloxolan-3-amine

C15H23NO — CID 166838541

IUPACN-(cyclohepta-1,3,5-trien-1-ylmethyl)-N-ethyl-2-methyloxolan-3-amine
SMILESCCN(CC1=CC=CC=CC1)C1CCOC1C
InChIInChI=1S/C15H23NO/c1-3-16(15-10-11-17-13(15)2)12-14-8-6-4-5-7-9-14/h4-8,13,15H,3,9-12H2,1-2H3
InChIKeyXZDSVPPHVGYITR-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.93
Rot. Bonds4

About N-(cyclohepta-1,3,5-trien-1-ylmethyl)-N-ethyl-2-methyloxolan-3-amine

N-(cyclohepta-1,3,5-trien-1-ylmethyl)-N-ethyl-2-methyloxolan-3-amine (PubChem CID 166838541) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N-(cyclohepta-1,3,5-trien-1-ylmethyl)-N-ethyl-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-(cyclohepta-1,3,5-trien-1-ylmethyl)-N-ethyl-2-methyloxolan-3-amine
PubChem CID166838541
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN-(cyclohepta-1,3,5-trien-1-ylmethyl)-N-ethyl-2-methyloxolan-3-amine
SMILESCCN(CC1=CC=CC=CC1)C1CCOC1C
InChIInChI=1S/C15H23NO/c1-3-16(15-10-11-17-13(15)2)12-14-8-6-4-5-7-9-14/h4-8,13,15H,3,9-12H2,1-2H3
InChIKeyXZDSVPPHVGYITR-UHFFFAOYSA-N
XLogP2.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohepta-1,3,5-trien-1-ylmethyl)-N-ethyl-2-methyloxolan-3-amine?
The IUPAC name of N-(cyclohepta-1,3,5-trien-1-ylmethyl)-N-ethyl-2-methyloxolan-3-amine (CID 166838541) is N-(cyclohepta-1,3,5-trien-1-ylmethyl)-N-ethyl-2-methyloxolan-3-amine.
What is the SMILES notation for N-(cyclohepta-1,3,5-trien-1-ylmethyl)-N-ethyl-2-methyloxolan-3-amine?
The canonical SMILES for N-(cyclohepta-1,3,5-trien-1-ylmethyl)-N-ethyl-2-methyloxolan-3-amine is CCN(CC1=CC=CC=CC1)C1CCOC1C.
What is the InChIKey of N-(cyclohepta-1,3,5-trien-1-ylmethyl)-N-ethyl-2-methyloxolan-3-amine?
The InChIKey is XZDSVPPHVGYITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-16(15-10-11-17-13(15)2)12-14-8-6-4-5-7-9-14/h4-8,13,15H,3,9-12H2,1-2H3.
What are the key properties of N-(cyclohepta-1,3,5-trien-1-ylmethyl)-N-ethyl-2-methyloxolan-3-amine?
N-(cyclohepta-1,3,5-trien-1-ylmethyl)-N-ethyl-2-methyloxolan-3-amine has a molecular weight of 233.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohepta-1,3,5-trien-1-ylmethyl)-N-ethyl-2-methyloxolan-3-amine is sourced from PubChem (CID 166838541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).