N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]-N-methyloxetan-3-amine

C14H25NO — CID 164769229

IUPACN-[(1S)-4-tert-butylcyclohex-3-en-1-yl]-N-methyloxetan-3-amine
SMILESCN(C1COC1)[C@@H]1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C14H25NO/c1-14(2,3)11-5-7-12(8-6-11)15(4)13-9-16-10-13/h5,12-13H,6-10H2,1-4H3/t12-/m1/s1
InChIKeyAWJRAMUKAAZHSB-GFCCVEGCSA-N
MW223.36 g/mol
LogP2.84
Rot. Bonds2

About N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]-N-methyloxetan-3-amine

N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]-N-methyloxetan-3-amine (PubChem CID 164769229) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]-N-methyloxetan-3-amine.

Molecular Properties

Compound NameN-[(1S)-4-tert-butylcyclohex-3-en-1-yl]-N-methyloxetan-3-amine
PubChem CID164769229
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-[(1S)-4-tert-butylcyclohex-3-en-1-yl]-N-methyloxetan-3-amine
SMILESCN(C1COC1)[C@@H]1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C14H25NO/c1-14(2,3)11-5-7-12(8-6-11)15(4)13-9-16-10-13/h5,12-13H,6-10H2,1-4H3/t12-/m1/s1
InChIKeyAWJRAMUKAAZHSB-GFCCVEGCSA-N
XLogP2.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(4-Propan-2-ylcyclohex-3-en-1-yl)morpholine
CID 138459739
N-(2-methoxyethyl)-N,4-dimethylcyclohex-3-en-1-amine
CID 145373128
4-tert-butyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine
CID 146536218
1-(oxetan-3-yl)-4-propan-2-yl-3,6-dihydro-2H-pyridine
CID 146536272
5-tert-butyl-1-(2-methoxyethyl)-6-methyl-3,6-dihydro-2H-pyridine
CID 148321483
(6R)-5-tert-butyl-1-(2-methoxyethyl)-6-methyl-3,6-dihydro-2H-pyridine
CID 153514356
(6S)-5-tert-butyl-1-(2-methoxyethyl)-6-methyl-3,6-dihydro-2H-pyridine
CID 153514358
1-(2-methoxyethyl)-6-methyl-5-(2-methylbutan-2-yl)-3,6-dihydro-2H-pyridine
CID 153621654
4-[(1R)-4-tert-butylcyclohex-3-en-1-yl]morpholine
CID 164769172
4-(4-Tert-butylcyclohex-3-en-1-yl)morpholine
CID 164769209
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

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]-N-methyloxetan-3-amine?
The IUPAC name of N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]-N-methyloxetan-3-amine (CID 164769229) is N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]-N-methyloxetan-3-amine.
What is the SMILES notation for N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]-N-methyloxetan-3-amine?
The canonical SMILES for N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]-N-methyloxetan-3-amine is CN(C1COC1)[C@@H]1CC=C(C(C)(C)C)CC1.
What is the InChIKey of N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]-N-methyloxetan-3-amine?
The InChIKey is AWJRAMUKAAZHSB-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H25NO/c1-14(2,3)11-5-7-12(8-6-11)15(4)13-9-16-10-13/h5,12-13H,6-10H2,1-4H3/t12-/m1/s1.
What are the key properties of N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]-N-methyloxetan-3-amine?
N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]-N-methyloxetan-3-amine has a molecular weight of 223.36 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]-N-methyloxetan-3-amine is sourced from PubChem (CID 164769229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).