N-(2-ethyl-6-methoxyhexyl)cyclopropanamine

C12H25NO — CID 104649189

IUPACN-(2-ethyl-6-methoxyhexyl)cyclopropanamine
SMILESCCC(CCCCOC)CNC1CC1
InChIInChI=1S/C12H25NO/c1-3-11(6-4-5-9-14-2)10-13-12-7-8-12/h11-13H,3-10H2,1-2H3
InChIKeyHOEWQWSENZPVHE-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds9

About N-(2-ethyl-6-methoxyhexyl)cyclopropanamine

N-(2-ethyl-6-methoxyhexyl)cyclopropanamine (PubChem CID 104649189) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-(2-ethyl-6-methoxyhexyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-ethyl-6-methoxyhexyl)cyclopropanamine
PubChem CID104649189
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-(2-ethyl-6-methoxyhexyl)cyclopropanamine
SMILESCCC(CCCCOC)CNC1CC1
InChIInChI=1S/C12H25NO/c1-3-11(6-4-5-9-14-2)10-13-12-7-8-12/h11-13H,3-10H2,1-2H3
InChIKeyHOEWQWSENZPVHE-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
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-ethyldodecyl)cyclopropanamine
CID 63521510
N-(2-ethylhexyl)cyclopropanamine
CID 43163806
N-[2-(2-methoxyethyl)pentyl]cyclopropanamine
CID 62528132
4-ethyl-1,11-dimethoxyundecane
CID 171750193
N-(2-ethylhexyl)-4-propan-2-ylcyclohexan-1-amine
CID 55200354
N-[2-ethyl-4-(3-methylbutoxy)butyl]cyclopropanamine
CID 62514503
N-[2-[(2-fluorophenyl)methyl]-6-methoxyhexyl]cyclopropanamine
CID 104649264
N-(2-ethylheptyl)piperidin-4-amine
CID 69327610
N-(2-ethylhexyl)-4-propylcyclohexan-1-amine
CID 43080495
N-[2-[3-(2-methoxyethoxy)propyl]-4-methylpentyl]cyclopropanamine
CID 103412314
N-[2-[(4-chlorophenyl)methyl]-5-methoxypentyl]cyclopropanamine
CID 62515917
N-(2-ethylhexyl)-3-methylcyclopentan-1-amine
CID 64500388

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methoxyhexyl)cyclopropanamine?
The IUPAC name of N-(2-ethyl-6-methoxyhexyl)cyclopropanamine (CID 104649189) is N-(2-ethyl-6-methoxyhexyl)cyclopropanamine.
What is the SMILES notation for N-(2-ethyl-6-methoxyhexyl)cyclopropanamine?
The canonical SMILES for N-(2-ethyl-6-methoxyhexyl)cyclopropanamine is CCC(CCCCOC)CNC1CC1.
What is the InChIKey of N-(2-ethyl-6-methoxyhexyl)cyclopropanamine?
The InChIKey is HOEWQWSENZPVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-11(6-4-5-9-14-2)10-13-12-7-8-12/h11-13H,3-10H2,1-2H3.
What are the key properties of N-(2-ethyl-6-methoxyhexyl)cyclopropanamine?
N-(2-ethyl-6-methoxyhexyl)cyclopropanamine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methoxyhexyl)cyclopropanamine is sourced from PubChem (CID 104649189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).