N-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]-2-methylpropan-1-amine

C15H27NO — CID 79364976

IUPACN-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCOC1C1CC=CCC1
InChIInChI=1S/C15H27NO/c1-12(2)10-16-11-14-8-9-17-15(14)13-6-4-3-5-7-13/h3-4,12-16H,5-11H2,1-2H3
InChIKeyXBKKFVCGMPHZLF-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.99
Rot. Bonds5

About N-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]-2-methylpropan-1-amine

N-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]-2-methylpropan-1-amine (PubChem CID 79364976) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]-2-methylpropan-1-amine
PubChem CID79364976
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCOC1C1CC=CCC1
InChIInChI=1S/C15H27NO/c1-12(2)10-16-11-14-8-9-17-15(14)13-6-4-3-5-7-13/h3-4,12-16H,5-11H2,1-2H3
InChIKeyXBKKFVCGMPHZLF-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.99
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

2-[(4-Methoxycyclohex-2-en-1-yl)methyl]pyrrolidine
CID 58771865
4-(1-Octadec-12-enoxyethyl)piperidine
CID 123375311
4-(4-Tert-butylcyclohex-2-en-1-yl)-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-c]pyridine
CID 129173759
4-[[(3R)-5,5-bis[(9Z,12Z)-octadeca-9,12-dienyl]oxolan-3-yl]methyl]piperidine
CID 155439853
3-(Cyclohex-3-en-1-ylmethyl)-5-methoxypiperidine
CID 173449704
3-[(Z)-octadec-9-enyl]-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole
CID 173875996
ethane;4-[(1R,3S,4E)-1-methyl-3-(3-methylbutyl)cyclooct-4-en-1-yl]oxypiperidine
CID 178830551
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 54917118
1-cyclohex-3-en-1-yl-N-(oxolan-3-ylmethyl)methanamine
CID 60920231
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

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]-2-methylpropan-1-amine (CID 79364976) is N-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCOC1C1CC=CCC1.
What is the InChIKey of N-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is XBKKFVCGMPHZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-12(2)10-16-11-14-8-9-17-15(14)13-6-4-3-5-7-13/h3-4,12-16H,5-11H2,1-2H3.
What are the key properties of N-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]-2-methylpropan-1-amine?
N-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79364976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).