3-tert-butyl-N-(2-methoxyethyl)cyclohex-2-en-1-amine

C13H25NO — CID 177265623

IUPAC3-tert-butyl-N-(2-methoxyethyl)cyclohex-2-en-1-amine
SMILESCOCCNC1C=C(C(C)(C)C)CCC1
InChIInChI=1S/C13H25NO/c1-13(2,3)11-6-5-7-12(10-11)14-8-9-15-4/h10,12,14H,5-9H2,1-4H3
InChIKeyGMTSERFCOPAPAQ-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.75
Rot. Bonds4

About 3-tert-butyl-N-(2-methoxyethyl)cyclohex-2-en-1-amine

3-tert-butyl-N-(2-methoxyethyl)cyclohex-2-en-1-amine (PubChem CID 177265623) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-tert-butyl-N-(2-methoxyethyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound Name3-tert-butyl-N-(2-methoxyethyl)cyclohex-2-en-1-amine
PubChem CID177265623
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-tert-butyl-N-(2-methoxyethyl)cyclohex-2-en-1-amine
SMILESCOCCNC1C=C(C(C)(C)C)CCC1
InChIInChI=1S/C13H25NO/c1-13(2,3)11-6-5-7-12(10-11)14-8-9-15-4/h10,12,14H,5-9H2,1-4H3
InChIKeyGMTSERFCOPAPAQ-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohexen-1-ylmethyl)-2-methoxyethanamine
CID 89520652
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
(1S)-4-tert-butyl-N,N-bis(2-methoxyethyl)cyclohex-3-en-1-amine
CID 167068202
2-[[(1R)-4-tert-butylcyclohex-3-en-1-yl]amino]ethanol
CID 167068203

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(2-methoxyethyl)cyclohex-2-en-1-amine?
The IUPAC name of 3-tert-butyl-N-(2-methoxyethyl)cyclohex-2-en-1-amine (CID 177265623) is 3-tert-butyl-N-(2-methoxyethyl)cyclohex-2-en-1-amine.
What is the SMILES notation for 3-tert-butyl-N-(2-methoxyethyl)cyclohex-2-en-1-amine?
The canonical SMILES for 3-tert-butyl-N-(2-methoxyethyl)cyclohex-2-en-1-amine is COCCNC1C=C(C(C)(C)C)CCC1.
What is the InChIKey of 3-tert-butyl-N-(2-methoxyethyl)cyclohex-2-en-1-amine?
The InChIKey is GMTSERFCOPAPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-13(2,3)11-6-5-7-12(10-11)14-8-9-15-4/h10,12,14H,5-9H2,1-4H3.
What are the key properties of 3-tert-butyl-N-(2-methoxyethyl)cyclohex-2-en-1-amine?
3-tert-butyl-N-(2-methoxyethyl)cyclohex-2-en-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(2-methoxyethyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 177265623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).