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

C14H25NO — CID 116521376

IUPAC1-cyclohex-3-en-1-yl-N-[(5,5-dimethyloxolan-2-yl)methyl]methanamine
SMILESCC1(C)CCC(CNCC2CC=CCC2)O1
InChIInChI=1S/C14H25NO/c1-14(2)9-8-13(16-14)11-15-10-12-6-4-3-5-7-12/h3-4,12-13,15H,5-11H2,1-2H3
InChIKeyJJSZRQBOWLZTAN-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.89
Rot. Bonds4

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

1-cyclohex-3-en-1-yl-N-[(5,5-dimethyloxolan-2-yl)methyl]methanamine (PubChem CID 116521376) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-N-[(5,5-dimethyloxolan-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-N-[(5,5-dimethyloxolan-2-yl)methyl]methanamine
PubChem CID116521376
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-cyclohex-3-en-1-yl-N-[(5,5-dimethyloxolan-2-yl)methyl]methanamine
SMILESCC1(C)CCC(CNCC2CC=CCC2)O1
InChIInChI=1S/C14H25NO/c1-14(2)9-8-13(16-14)11-15-10-12-6-4-3-5-7-12/h3-4,12-13,15H,5-11H2,1-2H3
InChIKeyJJSZRQBOWLZTAN-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.89
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

N-[(5,5-dimethyloxolan-2-yl)methyl]cyclohex-3-en-1-amine
CID 116521533
N-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylmethanamine
CID 43215811
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-cyclopropyl-2-[(5,5-dimethyloxolan-2-yl)methylamino]acetamide
CID 116521228
1-(5,5-dimethyloxolan-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 104954515
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methylpropan-2-amine
CID 116521163
3-[[(5,5-dimethyloxolan-2-yl)methylamino]methyl]oxolan-3-ol
CID 106100604
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-phenylethanamine
CID 116521126
N-[(5,5-dimethyloxolan-2-yl)methyl]oxan-4-amine
CID 116521230
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethylcyclobutan-1-amine
CID 116521711
1-(dimethylamino)-3-[(5,5-dimethyloxolan-2-yl)methylamino]-2-methylpropan-2-ol
CID 106147595

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-yl-N-[(5,5-dimethyloxolan-2-yl)methyl]methanamine?
The IUPAC name of 1-cyclohex-3-en-1-yl-N-[(5,5-dimethyloxolan-2-yl)methyl]methanamine (CID 116521376) is 1-cyclohex-3-en-1-yl-N-[(5,5-dimethyloxolan-2-yl)methyl]methanamine.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-N-[(5,5-dimethyloxolan-2-yl)methyl]methanamine?
The canonical SMILES for 1-cyclohex-3-en-1-yl-N-[(5,5-dimethyloxolan-2-yl)methyl]methanamine is CC1(C)CCC(CNCC2CC=CCC2)O1.
What is the InChIKey of 1-cyclohex-3-en-1-yl-N-[(5,5-dimethyloxolan-2-yl)methyl]methanamine?
The InChIKey is JJSZRQBOWLZTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-14(2)9-8-13(16-14)11-15-10-12-6-4-3-5-7-12/h3-4,12-13,15H,5-11H2,1-2H3.
What are the key properties of 1-cyclohex-3-en-1-yl-N-[(5,5-dimethyloxolan-2-yl)methyl]methanamine?
1-cyclohex-3-en-1-yl-N-[(5,5-dimethyloxolan-2-yl)methyl]methanamine has a molecular weight of 223.36 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-yl-N-[(5,5-dimethyloxolan-2-yl)methyl]methanamine is sourced from PubChem (CID 116521376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).