N-[cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine

C16H29NO — CID 65156045

IUPACN-[cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCC1)C1C(C)OC(C)C1C
InChIInChI=1S/C16H29NO/c1-5-17-16(14-9-7-6-8-10-14)15-11(2)12(3)18-13(15)4/h9,11-13,15-17H,5-8,10H2,1-4H3
InChIKeyGHPOUTLSVXGUJK-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.52
Rot. Bonds4

About N-[cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine

N-[cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine (PubChem CID 65156045) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-[cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
PubChem CID65156045
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-[cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCC1)C1C(C)OC(C)C1C
InChIInChI=1S/C16H29NO/c1-5-17-16(14-9-7-6-8-10-14)15-11(2)12(3)18-13(15)4/h9,11-13,15-17H,5-8,10H2,1-4H3
InChIKeyGHPOUTLSVXGUJK-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine (CID 65156045) is N-[cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine is CCNC(C1=CCCCC1)C1C(C)OC(C)C1C.
What is the InChIKey of N-[cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine?
The InChIKey is GHPOUTLSVXGUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-5-17-16(14-9-7-6-8-10-14)15-11(2)12(3)18-13(15)4/h9,11-13,15-17H,5-8,10H2,1-4H3.
What are the key properties of N-[cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine?
N-[cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine has a molecular weight of 251.41 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 65156045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).