N-[[6-methyl-4-(2-methylpentoxy)-3-pyridinyl]methyl]cyclopropanamine

C16H26N2O — CID 103285460

IUPACN-[[6-methyl-4-(2-methylpentoxy)-3-pyridinyl]methyl]cyclopropanamine
SMILESCCCC(C)COc1cc(C)ncc1CNC1CC1
InChIInChI=1S/C16H26N2O/c1-4-5-12(2)11-19-16-8-13(3)17-9-14(16)10-18-15-6-7-15/h8-9,12,15,18H,4-7,10-11H2,1-3H3
InChIKeyFZLFRGMNJBPDED-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.46
Rot. Bonds8

About N-[[6-methyl-4-(2-methylpentoxy)-3-pyridinyl]methyl]cyclopropanamine

N-[[6-methyl-4-(2-methylpentoxy)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 103285460) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[6-methyl-4-(2-methylpentoxy)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-methyl-4-(2-methylpentoxy)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID103285460
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[[6-methyl-4-(2-methylpentoxy)-3-pyridinyl]methyl]cyclopropanamine
SMILESCCCC(C)COc1cc(C)ncc1CNC1CC1
InChIInChI=1S/C16H26N2O/c1-4-5-12(2)11-19-16-8-13(3)17-9-14(16)10-18-15-6-7-15/h8-9,12,15,18H,4-7,10-11H2,1-3H3
InChIKeyFZLFRGMNJBPDED-UHFFFAOYSA-N
XLogP3.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-methyl-4-(2-propoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81250179
N-[[6-methyl-4-(2-methylbutan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81253556
N-[[4-(4-chlorophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81251064
N-[[6-methyl-4-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81253535
N-[[6-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methyl]cyclopropanamine
CID 116803040
N-[[4-(2,5-dimethylphenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81254386
N-[[4-(4-bromophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81250499
N-[[4-(2,5-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81254374
N-[[4-(2,4-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81254061
5-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N,2-dimethylpyridin-4-amine
CID 81246951
N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]cyclopropanamine
CID 107688044
5-[(cyclopropylamino)methyl]-N,N-diethyl-2-methylpyridin-4-amine
CID 81248791

Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-4-(2-methylpentoxy)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-methyl-4-(2-methylpentoxy)-3-pyridinyl]methyl]cyclopropanamine (CID 103285460) is N-[[6-methyl-4-(2-methylpentoxy)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-methyl-4-(2-methylpentoxy)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-methyl-4-(2-methylpentoxy)-3-pyridinyl]methyl]cyclopropanamine is CCCC(C)COc1cc(C)ncc1CNC1CC1.
What is the InChIKey of N-[[6-methyl-4-(2-methylpentoxy)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is FZLFRGMNJBPDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-5-12(2)11-19-16-8-13(3)17-9-14(16)10-18-15-6-7-15/h8-9,12,15,18H,4-7,10-11H2,1-3H3.
What are the key properties of N-[[6-methyl-4-(2-methylpentoxy)-3-pyridinyl]methyl]cyclopropanamine?
N-[[6-methyl-4-(2-methylpentoxy)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 262.40 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-4-(2-methylpentoxy)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 103285460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).