N-ethoxy-2-methylcyclohexan-1-amine

C9H19NO — CID 82709111

IUPACN-ethoxy-2-methylcyclohexan-1-amine
SMILESCCONC1CCCCC1C
InChIInChI=1S/C9H19NO/c1-3-11-10-9-7-5-4-6-8(9)2/h8-10H,3-7H2,1-2H3
InChIKeyYBGPFWDEFFTLLZ-UHFFFAOYSA-N
MW157.26 g/mol
LogP2.11
Rot. Bonds3

About N-ethoxy-2-methylcyclohexan-1-amine

N-ethoxy-2-methylcyclohexan-1-amine (PubChem CID 82709111) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-ethoxy-2-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethoxy-2-methylcyclohexan-1-amine
PubChem CID82709111
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-ethoxy-2-methylcyclohexan-1-amine
SMILESCCONC1CCCCC1C
InChIInChI=1S/C9H19NO/c1-3-11-10-9-7-5-4-6-8(9)2/h8-10H,3-7H2,1-2H3
InChIKeyYBGPFWDEFFTLLZ-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethoxy-2-methylcyclohexan-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

N-(2-methoxyethoxy)-2-methylcyclohexan-1-amine
CID 82710807
N-ethoxy-2-methoxycyclohexan-1-amine
CID 82710281
N-ethoxy-2-ethylcyclohexan-1-amine
CID 64974958
N-ethoxy-2-(trifluoromethyl)cyclohexan-1-amine
CID 82709358
N-ethoxy-2,4-dimethylcyclohexan-1-amine
CID 82710185
[2-(ethoxyamino)cyclohexyl]methanol
CID 175246547
N-ethoxy-2-propan-2-ylcyclohexan-1-amine
CID 82709453
2-methyl-N-prop-2-enoxycyclopentan-1-amine
CID 131227370
N-ethoxy-2-(methylaminooxymethyl)cyclohexan-1-amine
CID 22090855
N-ethoxy-2-piperidin-2-ylcyclohexan-1-amine
CID 82710395
N-ethyl-2-methylcyclohexan-1-amine;hydrochloride
CID 50988234
cis-(1S,2R)-2-methyl-N-[(1S,2R)-2-methylcyclopentyl]cyclohexan-1-amine
CID 124708997

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2-methylcyclohexan-1-amine?
The IUPAC name of N-ethoxy-2-methylcyclohexan-1-amine (CID 82709111) is N-ethoxy-2-methylcyclohexan-1-amine.
What is the SMILES notation for N-ethoxy-2-methylcyclohexan-1-amine?
The canonical SMILES for N-ethoxy-2-methylcyclohexan-1-amine is CCONC1CCCCC1C.
What is the InChIKey of N-ethoxy-2-methylcyclohexan-1-amine?
The InChIKey is YBGPFWDEFFTLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-11-10-9-7-5-4-6-8(9)2/h8-10H,3-7H2,1-2H3.
What are the key properties of N-ethoxy-2-methylcyclohexan-1-amine?
N-ethoxy-2-methylcyclohexan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2-methylcyclohexan-1-amine is sourced from PubChem (CID 82709111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).