N-[2-(2-methylcyclohexyl)oxyethyl]cyclopropanamine

C12H23NO — CID 60976387

IUPACN-[2-(2-methylcyclohexyl)oxyethyl]cyclopropanamine
SMILESCC1CCCCC1OCCNC1CC1
InChIInChI=1S/C12H23NO/c1-10-4-2-3-5-12(10)14-9-8-13-11-6-7-11/h10-13H,2-9H2,1H3
InChIKeyWPFGZDWWBVKPTI-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.33
Rot. Bonds5

About N-[2-(2-methylcyclohexyl)oxyethyl]cyclopropanamine

N-[2-(2-methylcyclohexyl)oxyethyl]cyclopropanamine (PubChem CID 60976387) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-[2-(2-methylcyclohexyl)oxyethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-methylcyclohexyl)oxyethyl]cyclopropanamine
PubChem CID60976387
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-[2-(2-methylcyclohexyl)oxyethyl]cyclopropanamine
SMILESCC1CCCCC1OCCNC1CC1
InChIInChI=1S/C12H23NO/c1-10-4-2-3-5-12(10)14-9-8-13-11-6-7-11/h10-13H,2-9H2,1H3
InChIKeyWPFGZDWWBVKPTI-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylcyclohexyl)oxyethyl]cycloheptanamine
CID 60960704
N-(2-cycloheptyloxyethyl)-4-methylcyclohexan-1-amine
CID 62583471
N-methyl-3-(2-methylcyclohexyl)oxypropan-1-amine
CID 62444338
3,3-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]butan-1-amine
CID 62567076
N-[2-[4-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine
CID 105349289
N-[2-[2-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine
CID 115464536
N-(2-cyclobutyloxyethyl)-4-methylcyclohexan-1-amine
CID 62584943
N-(2-cyclohexyloxyethyl)cyclohexanamine
CID 62567044
1-(3-chloropropoxy)-2-methylcyclohexane
CID 24689088
1-cyclopropyl-2-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]guanidine
CID 124628876
N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidine-1-carboxamide
CID 52657660
N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidine-1-carboxamide
CID 52657662

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylcyclohexyl)oxyethyl]cyclopropanamine?
The IUPAC name of N-[2-(2-methylcyclohexyl)oxyethyl]cyclopropanamine (CID 60976387) is N-[2-(2-methylcyclohexyl)oxyethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2-methylcyclohexyl)oxyethyl]cyclopropanamine?
The canonical SMILES for N-[2-(2-methylcyclohexyl)oxyethyl]cyclopropanamine is CC1CCCCC1OCCNC1CC1.
What is the InChIKey of N-[2-(2-methylcyclohexyl)oxyethyl]cyclopropanamine?
The InChIKey is WPFGZDWWBVKPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10-4-2-3-5-12(10)14-9-8-13-11-6-7-11/h10-13H,2-9H2,1H3.
What are the key properties of N-[2-(2-methylcyclohexyl)oxyethyl]cyclopropanamine?
N-[2-(2-methylcyclohexyl)oxyethyl]cyclopropanamine has a molecular weight of 197.32 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylcyclohexyl)oxyethyl]cyclopropanamine is sourced from PubChem (CID 60976387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).