N-[(5,5-dimethyloxolan-2-yl)methyl]cyclohex-3-en-1-amine

C13H23NO — CID 116521533

IUPACN-[(5,5-dimethyloxolan-2-yl)methyl]cyclohex-3-en-1-amine
SMILESCC1(C)CCC(CNC2CC=CCC2)O1
InChIInChI=1S/C13H23NO/c1-13(2)9-8-12(15-13)10-14-11-6-4-3-5-7-11/h3-4,11-12,14H,5-10H2,1-2H3
InChIKeyFZPSNBSIERWODC-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.64
Rot. Bonds3

About N-[(5,5-dimethyloxolan-2-yl)methyl]cyclohex-3-en-1-amine

N-[(5,5-dimethyloxolan-2-yl)methyl]cyclohex-3-en-1-amine (PubChem CID 116521533) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-[(5,5-dimethyloxolan-2-yl)methyl]cyclohex-3-en-1-amine.

Molecular Properties

Compound NameN-[(5,5-dimethyloxolan-2-yl)methyl]cyclohex-3-en-1-amine
PubChem CID116521533
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-[(5,5-dimethyloxolan-2-yl)methyl]cyclohex-3-en-1-amine
SMILESCC1(C)CCC(CNC2CC=CCC2)O1
InChIInChI=1S/C13H23NO/c1-13(2)9-8-12(15-13)10-14-11-6-4-3-5-7-11/h3-4,11-12,14H,5-10H2,1-2H3
InChIKeyFZPSNBSIERWODC-UHFFFAOYSA-N
XLogP2.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.64
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

1-cyclohex-3-en-1-yl-N-[(5,5-dimethyloxolan-2-yl)methyl]methanamine
CID 116521376
N-[(5,5-dimethyloxolan-2-yl)methyl]oxan-4-amine
CID 116521230
N-[(5-methyloxolan-2-yl)methyl]cyclohex-3-en-1-amine
CID 82836681
N-[(5,5-dimethyloxolan-2-yl)methyl]-3-ethylcyclohexan-1-amine
CID 116521499
N-methylcyclohex-3-en-1-amine
CID 12702515
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methylpropan-2-amine
CID 116521163
(1R)-1-cyclopentyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
CID 104889528
N'-[(5,5-dimethyloxolan-2-yl)methyl]ethane-1,2-diamine
CID 116521389
2-[(5,5-dimethyloxolan-2-yl)methylamino]propane-1,3-diol
CID 116521519
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylcyclohexan-1-amine
CID 116521368
(1S)-1-cyclohexyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
CID 104889526
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethylcyclobutan-1-amine
CID 116521711

Frequently Asked Questions

What is the IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]cyclohex-3-en-1-amine?
The IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]cyclohex-3-en-1-amine (CID 116521533) is N-[(5,5-dimethyloxolan-2-yl)methyl]cyclohex-3-en-1-amine.
What is the SMILES notation for N-[(5,5-dimethyloxolan-2-yl)methyl]cyclohex-3-en-1-amine?
The canonical SMILES for N-[(5,5-dimethyloxolan-2-yl)methyl]cyclohex-3-en-1-amine is CC1(C)CCC(CNC2CC=CCC2)O1.
What is the InChIKey of N-[(5,5-dimethyloxolan-2-yl)methyl]cyclohex-3-en-1-amine?
The InChIKey is FZPSNBSIERWODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-13(2)9-8-12(15-13)10-14-11-6-4-3-5-7-11/h3-4,11-12,14H,5-10H2,1-2H3.
What are the key properties of N-[(5,5-dimethyloxolan-2-yl)methyl]cyclohex-3-en-1-amine?
N-[(5,5-dimethyloxolan-2-yl)methyl]cyclohex-3-en-1-amine has a molecular weight of 209.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,5-dimethyloxolan-2-yl)methyl]cyclohex-3-en-1-amine is sourced from PubChem (CID 116521533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).