N-[3-methyl-2-(2-methylpropoxy)butyl]cyclopropanamine

C12H25NO — CID 62445305

IUPACN-[3-methyl-2-(2-methylpropoxy)butyl]cyclopropanamine
SMILESCC(C)COC(CNC1CC1)C(C)C
InChIInChI=1S/C12H25NO/c1-9(2)8-14-12(10(3)4)7-13-11-5-6-11/h9-13H,5-8H2,1-4H3
InChIKeyJFYJGNTUFFVFAF-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.44
Rot. Bonds7

About N-[3-methyl-2-(2-methylpropoxy)butyl]cyclopropanamine

N-[3-methyl-2-(2-methylpropoxy)butyl]cyclopropanamine (PubChem CID 62445305) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-[3-methyl-2-(2-methylpropoxy)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-methyl-2-(2-methylpropoxy)butyl]cyclopropanamine
PubChem CID62445305
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-[3-methyl-2-(2-methylpropoxy)butyl]cyclopropanamine
SMILESCC(C)COC(CNC1CC1)C(C)C
InChIInChI=1S/C12H25NO/c1-9(2)8-14-12(10(3)4)7-13-11-5-6-11/h9-13H,5-8H2,1-4H3
InChIKeyJFYJGNTUFFVFAF-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,3-dimethylbutoxy)-3-methylbutyl]cyclopropanamine
CID 66226160
N-[2-[2-[cyclopropyl(methyl)amino]ethoxy]-3-methylbutyl]cyclopropanamine
CID 102740927
N-[3-methoxy-2-(2-methylpropoxy)propyl]cyclopropanamine
CID 103227787
N-[2-[2-(2-methoxyethoxy)ethoxy]-3-methylbutyl]cyclopropanamine
CID 113427443
N-[3-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]butyl]cyclopropanamine
CID 62458467
N-[3-methyl-2-(oxolan-3-ylmethoxy)butyl]cyclopropanamine
CID 62485595
N-[3-methyl-2-(2-phenylethoxy)butyl]cyclopropanamine
CID 114999821
4-(2-methylpropylamino)cyclohexan-1-ol
CID 8024862
N-[2-(4-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine
CID 62105975
N-[2-[2-(2-methylpropoxy)ethoxy]butyl]cyclopropanamine
CID 106449904
N-[3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutyl]cyclopropanamine
CID 63492299
N-[2-(2-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine
CID 62105981

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-2-(2-methylpropoxy)butyl]cyclopropanamine?
The IUPAC name of N-[3-methyl-2-(2-methylpropoxy)butyl]cyclopropanamine (CID 62445305) is N-[3-methyl-2-(2-methylpropoxy)butyl]cyclopropanamine.
What is the SMILES notation for N-[3-methyl-2-(2-methylpropoxy)butyl]cyclopropanamine?
The canonical SMILES for N-[3-methyl-2-(2-methylpropoxy)butyl]cyclopropanamine is CC(C)COC(CNC1CC1)C(C)C.
What is the InChIKey of N-[3-methyl-2-(2-methylpropoxy)butyl]cyclopropanamine?
The InChIKey is JFYJGNTUFFVFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)8-14-12(10(3)4)7-13-11-5-6-11/h9-13H,5-8H2,1-4H3.
What are the key properties of N-[3-methyl-2-(2-methylpropoxy)butyl]cyclopropanamine?
N-[3-methyl-2-(2-methylpropoxy)butyl]cyclopropanamine has a molecular weight of 199.34 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-2-(2-methylpropoxy)butyl]cyclopropanamine is sourced from PubChem (CID 62445305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).