N-(2-methoxyethoxy)cyclohex-2-en-1-amine

C9H17NO2 — CID 107907665

IUPACN-(2-methoxyethoxy)cyclohex-2-en-1-amine
SMILESCOCCONC1C=CCCC1
InChIInChI=1S/C9H17NO2/c1-11-7-8-12-10-9-5-3-2-4-6-9/h3,5,9-10H,2,4,6-8H2,1H3
InChIKeyHSNYRWFJBJCFRD-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.26
Rot. Bonds5

About N-(2-methoxyethoxy)cyclohex-2-en-1-amine

N-(2-methoxyethoxy)cyclohex-2-en-1-amine (PubChem CID 107907665) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-(2-methoxyethoxy)cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethoxy)cyclohex-2-en-1-amine
PubChem CID107907665
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-(2-methoxyethoxy)cyclohex-2-en-1-amine
SMILESCOCCONC1C=CCCC1
InChIInChI=1S/C9H17NO2/c1-11-7-8-12-10-9-5-3-2-4-6-9/h3,5,9-10H,2,4,6-8H2,1H3
InChIKeyHSNYRWFJBJCFRD-UHFFFAOYSA-N
XLogP1.26
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethoxy)cyclohex-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclohex-2-en-1-ylamino)-4-methoxy-2-methylbutan-2-ol
CID 106255210
N-(5-methylhexyl)cyclohex-2-en-1-amine
CID 107907594
3-(3-methoxypropoxy)cyclohexene
CID 141179589
N-(2-methoxyethoxy)cyclohexanamine
CID 82712676
N-(2-methoxyethoxy)-2,3-dimethylcyclohexan-1-amine
CID 82715306
N-(2-methoxyethoxy)-2-methylcyclohexan-1-amine
CID 82710807
1-[(1R)-cyclohex-2-en-1-yl]-3-(2-methoxy-2-methylpropyl)urea
CID 97076034
N-cyclohex-2-en-1-yl-N',N'-dimethylethane-1,2-diamine
CID 103867344
2-[2-(cyclohex-2-en-1-ylamino)ethoxy]acetamide
CID 106238210
N-(3-methylbut-2-enyl)cyclohex-2-en-1-amine
CID 106547294
1-cyclohept-2-en-1-yl-3-methylurea
CID 101061254
N-[(1S)-cyclohex-2-en-1-yl]-4-methylaniline
CID 101110107

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)cyclohex-2-en-1-amine?
The IUPAC name of N-(2-methoxyethoxy)cyclohex-2-en-1-amine (CID 107907665) is N-(2-methoxyethoxy)cyclohex-2-en-1-amine.
What is the SMILES notation for N-(2-methoxyethoxy)cyclohex-2-en-1-amine?
The canonical SMILES for N-(2-methoxyethoxy)cyclohex-2-en-1-amine is COCCONC1C=CCCC1.
What is the InChIKey of N-(2-methoxyethoxy)cyclohex-2-en-1-amine?
The InChIKey is HSNYRWFJBJCFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-11-7-8-12-10-9-5-3-2-4-6-9/h3,5,9-10H,2,4,6-8H2,1H3.
What are the key properties of N-(2-methoxyethoxy)cyclohex-2-en-1-amine?
N-(2-methoxyethoxy)cyclohex-2-en-1-amine has a molecular weight of 171.24 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)cyclohex-2-en-1-amine is sourced from PubChem (CID 107907665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).