5-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine

C14H23N3O — CID 63008122

IUPAC5-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine
SMILESCOCCCN(C)c1ccc(CNC2CC2)cn1
InChIInChI=1S/C14H23N3O/c1-17(8-3-9-18-2)14-7-4-12(11-16-14)10-15-13-5-6-13/h4,7,11,13,15H,3,5-6,8-10H2,1-2H3
InChIKeyMNCPMYMTWXEZEL-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.81
Rot. Bonds8

About 5-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine

5-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine (PubChem CID 63008122) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine
PubChem CID63008122
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name5-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine
SMILESCOCCCN(C)c1ccc(CNC2CC2)cn1
InChIInChI=1S/C14H23N3O/c1-17(8-3-9-18-2)14-7-4-12(11-16-14)10-15-13-5-6-13/h4,7,11,13,15H,3,5-6,8-10H2,1-2H3
InChIKeyMNCPMYMTWXEZEL-UHFFFAOYSA-N
XLogP1.81
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine
CID 55139542
5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 112662259
5-(chloromethyl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine
CID 63008775
N-[(4-bromophenyl)methyl]-5-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62287672
5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 62280084
5-[(cyclopropylamino)methyl]-N-methyl-N-phenylpyridin-2-amine
CID 62285256
N-[[4-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
CID 63009386
N'-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 80636019
N-(2-methoxyethyl)-5-[[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]amino]methyl]-N-methylpyridin-2-amine
CID 124847962
N-butan-2-yl-N-butyl-5-[(cyclopropylamino)methyl]pyridin-2-amine
CID 62289463
5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine
CID 63692128
2-[[5-[(cyclopropylamino)methyl]-2-pyridinyl]-methylamino]-N-ethylacetamide
CID 80629554

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine (CID 63008122) is 5-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine is COCCCN(C)c1ccc(CNC2CC2)cn1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine?
The InChIKey is MNCPMYMTWXEZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-17(8-3-9-18-2)14-7-4-12(11-16-14)10-15-13-5-6-13/h4,7,11,13,15H,3,5-6,8-10H2,1-2H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine?
5-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 63008122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).