N-(3-tert-butylcyclohex-2-en-1-yl)oxetan-3-amine

C13H23NO — CID 177265533

IUPACN-(3-tert-butylcyclohex-2-en-1-yl)oxetan-3-amine
SMILESCC(C)(C)C1=CC(NC2COC2)CCC1
InChIInChI=1S/C13H23NO/c1-13(2,3)10-5-4-6-11(7-10)14-12-8-15-9-12/h7,11-12,14H,4-6,8-9H2,1-3H3
InChIKeyOCGDLEKPDOFDRF-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.50
Rot. Bonds2

About N-(3-tert-butylcyclohex-2-en-1-yl)oxetan-3-amine

N-(3-tert-butylcyclohex-2-en-1-yl)oxetan-3-amine (PubChem CID 177265533) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-(3-tert-butylcyclohex-2-en-1-yl)oxetan-3-amine.

Molecular Properties

Compound NameN-(3-tert-butylcyclohex-2-en-1-yl)oxetan-3-amine
PubChem CID177265533
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-(3-tert-butylcyclohex-2-en-1-yl)oxetan-3-amine
SMILESCC(C)(C)C1=CC(NC2COC2)CCC1
InChIInChI=1S/C13H23NO/c1-13(2,3)10-5-4-6-11(7-10)14-12-8-15-9-12/h7,11-12,14H,4-6,8-9H2,1-3H3
InChIKeyOCGDLEKPDOFDRF-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.50
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-(2-methoxyethyl)-4-methylcyclohex-3-en-1-amine
CID 154694558
N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]-N-methyloxetan-3-amine
CID 164769229
4-tert-butyl-N-(2-methoxyethyl)cyclohex-3-en-1-amine
CID 164769232
N-(4-tert-butylcyclohex-3-en-1-yl)-N-methyloxetan-3-amine
CID 164769252
N-(4-tert-butylcyclohex-3-en-1-yl)oxetan-3-amine
CID 164769299
2-[(4-Tert-butylcyclohex-3-en-1-yl)amino]ethanol
CID 167068192
(1S)-4-tert-butyl-N-(2-methoxyethyl)-N-methylcyclohex-3-en-1-amine
CID 167068196
2-[[(1S)-4-tert-butylcyclohex-3-en-1-yl]amino]ethanol
CID 167068197
(1R)-4-tert-butyl-N-(2-methoxyethyl)-N-methylcyclohex-3-en-1-amine
CID 167068201
2-[[(1R)-4-tert-butylcyclohex-3-en-1-yl]amino]ethanol
CID 167068203
(1S)-4-tert-butyl-N-(2-methoxyethyl)cyclohex-3-en-1-amine
CID 167068205
4-tert-butyl-N-(2-methoxyethyl)-N-methylcyclohex-3-en-1-amine
CID 167068217

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butylcyclohex-2-en-1-yl)oxetan-3-amine?
The IUPAC name of N-(3-tert-butylcyclohex-2-en-1-yl)oxetan-3-amine (CID 177265533) is N-(3-tert-butylcyclohex-2-en-1-yl)oxetan-3-amine.
What is the SMILES notation for N-(3-tert-butylcyclohex-2-en-1-yl)oxetan-3-amine?
The canonical SMILES for N-(3-tert-butylcyclohex-2-en-1-yl)oxetan-3-amine is CC(C)(C)C1=CC(NC2COC2)CCC1.
What is the InChIKey of N-(3-tert-butylcyclohex-2-en-1-yl)oxetan-3-amine?
The InChIKey is OCGDLEKPDOFDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-13(2,3)10-5-4-6-11(7-10)14-12-8-15-9-12/h7,11-12,14H,4-6,8-9H2,1-3H3.
What are the key properties of N-(3-tert-butylcyclohex-2-en-1-yl)oxetan-3-amine?
N-(3-tert-butylcyclohex-2-en-1-yl)oxetan-3-amine has a molecular weight of 209.33 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butylcyclohex-2-en-1-yl)oxetan-3-amine is sourced from PubChem (CID 177265533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).