N-[[(1S)-cyclohex-3-en-1-yl]methyl]-2-methoxyethanamine

C10H19NO — CID 28610310

IUPACN-[[(1S)-cyclohex-3-en-1-yl]methyl]-2-methoxyethanamine
SMILESCOCCNC[C@@H]1CC=CCC1
InChIInChI=1S/C10H19NO/c1-12-8-7-11-9-10-5-3-2-4-6-10/h2-3,10-11H,4-9H2,1H3/t10-/m1/s1
InChIKeyCYEFLNUFKGQJKB-SNVBAGLBSA-N
MW169.27 g/mol
LogP1.58
Rot. Bonds5

About N-[[(1S)-cyclohex-3-en-1-yl]methyl]-2-methoxyethanamine

N-[[(1S)-cyclohex-3-en-1-yl]methyl]-2-methoxyethanamine (PubChem CID 28610310) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-[[(1S)-cyclohex-3-en-1-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[(1S)-cyclohex-3-en-1-yl]methyl]-2-methoxyethanamine
PubChem CID28610310
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-[[(1S)-cyclohex-3-en-1-yl]methyl]-2-methoxyethanamine
SMILESCOCCNC[C@@H]1CC=CCC1
InChIInChI=1S/C10H19NO/c1-12-8-7-11-9-10-5-3-2-4-6-10/h2-3,10-11H,4-9H2,1H3/t10-/m1/s1
InChIKeyCYEFLNUFKGQJKB-SNVBAGLBSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.58
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

Cyclohex-3-enylmethyl-(2-morpholin-4-yl-ethyl)-amine
CID 3152374
[(Cyclohex-3-en-1-yl)methyl](2-methoxyethyl)amine
CID 43180514
Cyclohex-3-enylmethyl-(3-morpholin-4-yl-propyl)-amine
CID 3152141
N-(2-methoxyethyl)icosa-5,8,11,14-tetraen-1-amine
CID 49824017
N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyethyl)piperidin-3-amine
CID 75431555
N-(cyclohex-3-en-1-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 60733607
N-(cyclohex-3-en-1-ylmethyl)-2-(trifluoromethoxy)ethanamine
CID 65803015
N-(cyclohex-3-en-1-ylmethyl)-2-(2,2-difluoroethoxy)ethanamine
CID 103081284
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103276798
2-(2,2-difluoroethoxy)-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]ethanamine
CID 105906033
2-[(5,6-Diethylcyclohex-3-en-1-yl)amino]ethanol
CID 53678619
2-(Cyclohex-3-en-1-yl)morpholine
CID 67609598

Frequently Asked Questions

What is the IUPAC name of N-[[(1S)-cyclohex-3-en-1-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[(1S)-cyclohex-3-en-1-yl]methyl]-2-methoxyethanamine (CID 28610310) is N-[[(1S)-cyclohex-3-en-1-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[(1S)-cyclohex-3-en-1-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[(1S)-cyclohex-3-en-1-yl]methyl]-2-methoxyethanamine is COCCNC[C@@H]1CC=CCC1.
What is the InChIKey of N-[[(1S)-cyclohex-3-en-1-yl]methyl]-2-methoxyethanamine?
The InChIKey is CYEFLNUFKGQJKB-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H19NO/c1-12-8-7-11-9-10-5-3-2-4-6-10/h2-3,10-11H,4-9H2,1H3/t10-/m1/s1.
What are the key properties of N-[[(1S)-cyclohex-3-en-1-yl]methyl]-2-methoxyethanamine?
N-[[(1S)-cyclohex-3-en-1-yl]methyl]-2-methoxyethanamine has a molecular weight of 169.27 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S)-cyclohex-3-en-1-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 28610310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).