N-[3-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]butyl]cyclopropanamine

C15H30N2O — CID 62458467

IUPACN-[3-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]butyl]cyclopropanamine
SMILESCC(C)C(CNC1CC1)OCCC1CCCN1C
InChIInChI=1S/C15H30N2O/c1-12(2)15(11-16-13-6-7-13)18-10-8-14-5-4-9-17(14)3/h12-16H,4-11H2,1-3H3
InChIKeyVDAMRJJPJXCHET-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.26
Rot. Bonds8

About N-[3-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]butyl]cyclopropanamine

N-[3-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]butyl]cyclopropanamine (PubChem CID 62458467) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[3-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]butyl]cyclopropanamine
PubChem CID62458467
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-[3-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]butyl]cyclopropanamine
SMILESCC(C)C(CNC1CC1)OCCC1CCCN1C
InChIInChI=1S/C15H30N2O/c1-12(2)15(11-16-13-6-7-13)18-10-8-14-5-4-9-17(14)3/h12-16H,4-11H2,1-3H3
InChIKeyVDAMRJJPJXCHET-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-methyl-2-(2-methylpropoxy)butyl]cyclopropanamine
CID 62445305
N-[2-[2-(2-methoxyethoxy)ethoxy]-3-methylbutyl]cyclopropanamine
CID 113427443
N-[3-methoxy-2-[(1-methylpiperidin-2-yl)methoxy]propyl]cyclopropanamine
CID 103228803
N-[2-(3,3-dimethylbutoxy)-3-methylbutyl]cyclopropanamine
CID 66226160
N-[2-[2-[cyclopropyl(methyl)amino]ethoxy]-3-methylbutyl]cyclopropanamine
CID 102740927
N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 107911041
4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclohexan-1-amine
CID 107913673
1-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol
CID 79314199
4-[(1-methylpyrrolidin-2-yl)methylamino]cyclohexan-1-ol
CID 58858777
N-[3-methyl-2-(2-phenylethoxy)butyl]cyclopropanamine
CID 114999821
2-(2-cyclopentyloxyethyl)-1-methylpiperidine
CID 23339262
N-tert-butyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pentan-1-amine
CID 83045953

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]butyl]cyclopropanamine?
The IUPAC name of N-[3-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]butyl]cyclopropanamine (CID 62458467) is N-[3-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]butyl]cyclopropanamine.
What is the SMILES notation for N-[3-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]butyl]cyclopropanamine?
The canonical SMILES for N-[3-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]butyl]cyclopropanamine is CC(C)C(CNC1CC1)OCCC1CCCN1C.
What is the InChIKey of N-[3-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]butyl]cyclopropanamine?
The InChIKey is VDAMRJJPJXCHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12(2)15(11-16-13-6-7-13)18-10-8-14-5-4-9-17(14)3/h12-16H,4-11H2,1-3H3.
What are the key properties of N-[3-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]butyl]cyclopropanamine?
N-[3-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]butyl]cyclopropanamine has a molecular weight of 254.42 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]butyl]cyclopropanamine is sourced from PubChem (CID 62458467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).