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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Related Compounds

(1S,5R,6R)-3-ethyl-N,6-dimethyl-5-pentan-3-yloxycyclohex-3-en-1-amine
CID 118097478
4-(4-Tert-butylcyclohex-2-en-1-yl)-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-c]pyridine
CID 129173759
4-(2,2-dimethylundecan-3-yloxy)-2,3,3a,6,7,7a-hexahydro-1H-indole
CID 150040526
(Z,3S)-N-methyl-3-[(6S)-6-methyloctan-4-yl]oxy-7-[(3S,4S)-3-methylpiperidin-4-yl]non-7-en-1-amine
CID 163970162
(3S)-5-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl)-3-methyl-1,2,3,6-tetrahydropyridine
CID 176569161
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 54917118
N-[cyclohexen-1-yl(oxan-4-yl)methyl]propan-1-amine
CID 55133142
N-[cyclohexen-1-yl(oxolan-3-yl)methyl]propan-1-amine
CID 62077835
N-[cyclopenten-1-yl(oxolan-3-yl)methyl]ethanamine
CID 62077856
N-[cyclohexen-1-yl(oxolan-3-yl)methyl]ethanamine
CID 62078856
N-[cyclopenten-1-yl(oxolan-3-yl)methyl]propan-1-amine
CID 62079074
1-(cyclohepten-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 62079085

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).