N-[[6-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]cyclopropanamine

C15H24N2O — CID 66226369

IUPACN-[[6-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]cyclopropanamine
SMILESCC(C)(C)CCOc1ccc(CNC2CC2)cn1
InChIInChI=1S/C15H24N2O/c1-15(2,3)8-9-18-14-7-4-12(11-17-14)10-16-13-5-6-13/h4,7,11,13,16H,5-6,8-10H2,1-3H3
InChIKeyJSYJIMBVIPBTGI-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.15
Rot. Bonds6

About N-[[6-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]cyclopropanamine

N-[[6-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 66226369) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[[6-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID66226369
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[[6-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]cyclopropanamine
SMILESCC(C)(C)CCOc1ccc(CNC2CC2)cn1
InChIInChI=1S/C15H24N2O/c1-15(2,3)8-9-18-14-7-4-12(11-17-14)10-16-13-5-6-13/h4,7,11,13,16H,5-6,8-10H2,1-3H3
InChIKeyJSYJIMBVIPBTGI-UHFFFAOYSA-N
XLogP3.15
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
CID 62290349
N-[(6-but-2-enoxy-3-pyridinyl)methyl]cyclopropanamine
CID 76938434
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylcycloheptan-1-amine
CID 65081064
N-[(6-methyl-3-pyridinyl)methyl]cyclopropanamine
CID 43163855
N-[[6-[1,1-bis(phosphanyl)ethyl]-3-pyridinyl]methyl]cyclopropanamine
CID 155399172
4-tert-butyl-N-[(6-methyl-3-pyridinyl)methyl]cycloheptan-1-amine
CID 65089500
ethyl 4-[(6-methoxy-3-pyridinyl)methylamino]cyclohexane-1-carboxylate
CID 115904668
N-[(6-chloro-3-pyridinyl)methyl]cyclopropanamine
CID 53385515
N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 107285151
N-[[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]methyl]cyclopropanamine
CID 61481281
5-[(cyclopropylamino)methyl]-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
CID 102915278
N-[(6-bromo-3-pyridinyl)methyl]cyclobutanamine
CID 146014724

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]cyclopropanamine (CID 66226369) is N-[[6-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]cyclopropanamine is CC(C)(C)CCOc1ccc(CNC2CC2)cn1.
What is the InChIKey of N-[[6-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is JSYJIMBVIPBTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(2,3)8-9-18-14-7-4-12(11-17-14)10-16-13-5-6-13/h4,7,11,13,16H,5-6,8-10H2,1-3H3.
What are the key properties of N-[[6-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]cyclopropanamine?
N-[[6-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 248.37 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 66226369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).