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

C17H31NO — CID 65156096

IUPACN-[cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCC1)C1C(C)OC(C)C1C
InChIInChI=1S/C17H31NO/c1-5-11-18-17(15-9-7-6-8-10-15)16-12(2)13(3)19-14(16)4/h9,12-14,16-18H,5-8,10-11H2,1-4H3
InChIKeyIOBGVZNRWDNMAR-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.91
Rot. Bonds5

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

N-[cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine (PubChem CID 65156096) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N-[cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
PubChem CID65156096
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN-[cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCC1)C1C(C)OC(C)C1C
InChIInChI=1S/C17H31NO/c1-5-11-18-17(15-9-7-6-8-10-15)16-12(2)13(3)19-14(16)4/h9,12-14,16-18H,5-8,10-11H2,1-4H3
InChIKeyIOBGVZNRWDNMAR-UHFFFAOYSA-N
XLogP3.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.91
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]propan-1-amine?
The IUPAC name of N-[cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine (CID 65156096) is N-[cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine is CCCNC(C1=CCCCC1)C1C(C)OC(C)C1C.
What is the InChIKey of N-[cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine?
The InChIKey is IOBGVZNRWDNMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-5-11-18-17(15-9-7-6-8-10-15)16-12(2)13(3)19-14(16)4/h9,12-14,16-18H,5-8,10-11H2,1-4H3.
What are the key properties of N-[cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine?
N-[cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 3.91, 5 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]propan-1-amine is sourced from PubChem (CID 65156096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).