N-(2-ethyl-5-methoxy-2-methylpentyl)cyclopropanamine

C12H25NO — CID 62717827

IUPACN-(2-ethyl-5-methoxy-2-methylpentyl)cyclopropanamine
SMILESCCC(C)(CCCOC)CNC1CC1
InChIInChI=1S/C12H25NO/c1-4-12(2,8-5-9-14-3)10-13-11-6-7-11/h11,13H,4-10H2,1-3H3
InChIKeyIHFZAGZLYAWTCW-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds8

About N-(2-ethyl-5-methoxy-2-methylpentyl)cyclopropanamine

N-(2-ethyl-5-methoxy-2-methylpentyl)cyclopropanamine (PubChem CID 62717827) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-(2-ethyl-5-methoxy-2-methylpentyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-ethyl-5-methoxy-2-methylpentyl)cyclopropanamine
PubChem CID62717827
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-(2-ethyl-5-methoxy-2-methylpentyl)cyclopropanamine
SMILESCCC(C)(CCCOC)CNC1CC1
InChIInChI=1S/C12H25NO/c1-4-12(2,8-5-9-14-3)10-13-11-6-7-11/h11,13H,4-10H2,1-3H3
InChIKeyIHFZAGZLYAWTCW-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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-(5-methoxy-2-methyl-2-propylpentyl)cyclopropanamine
CID 62723418
N-(6-methoxy-2-methyl-2-propylhexyl)cyclopropanamine
CID 104649334
N-(2-ethyl-5-ethylsulfonyl-2-methylpentyl)cyclopropanamine
CID 65096971
N-(2-ethyl-2-methyl-4-propan-2-yloxybutyl)cyclopropanamine
CID 62718147
N-(2-ethyl-2-methylbutyl)piperidin-4-amine
CID 134219851
N-(4-methoxy-2,2-dimethylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844849
4-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine
CID 2846375
N-cyclopropyl-N'-ethyl-N'-(1-methoxypropan-2-yl)-2-methyl-2-propylpropane-1,3-diamine
CID 55056516
N-[2-methyl-2-(2-propan-2-yloxyethyl)pentyl]cyclopropanamine
CID 62725819
2-cyclopropyl-N-ethyl-5-methoxy-2-methylpentan-1-amine
CID 83159680
N-cyclopropyl-2-ethyl-N',2-dimethyl-N'-propylpropane-1,3-diamine
CID 62263465
1-(cyclopropylamino)-5-methoxy-2,3-dimethylpentan-2-ol
CID 116500216

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-5-methoxy-2-methylpentyl)cyclopropanamine?
The IUPAC name of N-(2-ethyl-5-methoxy-2-methylpentyl)cyclopropanamine (CID 62717827) is N-(2-ethyl-5-methoxy-2-methylpentyl)cyclopropanamine.
What is the SMILES notation for N-(2-ethyl-5-methoxy-2-methylpentyl)cyclopropanamine?
The canonical SMILES for N-(2-ethyl-5-methoxy-2-methylpentyl)cyclopropanamine is CCC(C)(CCCOC)CNC1CC1.
What is the InChIKey of N-(2-ethyl-5-methoxy-2-methylpentyl)cyclopropanamine?
The InChIKey is IHFZAGZLYAWTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-12(2,8-5-9-14-3)10-13-11-6-7-11/h11,13H,4-10H2,1-3H3.
What are the key properties of N-(2-ethyl-5-methoxy-2-methylpentyl)cyclopropanamine?
N-(2-ethyl-5-methoxy-2-methylpentyl)cyclopropanamine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-5-methoxy-2-methylpentyl)cyclopropanamine is sourced from PubChem (CID 62717827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).