3-[(cyclopropylamino)methyl]-N-ethyl-4,6-dimethyl-N-(2-methylprop-2-enyl)pyridin-2-amine

C17H27N3 — CID 62279990

IUPAC3-[(cyclopropylamino)methyl]-N-ethyl-4,6-dimethyl-N-(2-methylprop-2-enyl)pyridin-2-amine
SMILESC=C(C)CN(CC)c1nc(C)cc(C)c1CNC1CC1
InChIInChI=1S/C17H27N3/c1-6-20(11-12(2)3)17-16(10-18-15-7-8-15)13(4)9-14(5)19-17/h9,15,18H,2,6-8,10-11H2,1,3-5H3
InChIKeyAVSOKAOLRTYORP-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.35
Rot. Bonds7

About 3-[(cyclopropylamino)methyl]-N-ethyl-4,6-dimethyl-N-(2-methylprop-2-enyl)pyridin-2-amine

3-[(cyclopropylamino)methyl]-N-ethyl-4,6-dimethyl-N-(2-methylprop-2-enyl)pyridin-2-amine (PubChem CID 62279990) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-N-ethyl-4,6-dimethyl-N-(2-methylprop-2-enyl)pyridin-2-amine.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-N-ethyl-4,6-dimethyl-N-(2-methylprop-2-enyl)pyridin-2-amine
PubChem CID62279990
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name3-[(cyclopropylamino)methyl]-N-ethyl-4,6-dimethyl-N-(2-methylprop-2-enyl)pyridin-2-amine
SMILESC=C(C)CN(CC)c1nc(C)cc(C)c1CNC1CC1
InChIInChI=1S/C17H27N3/c1-6-20(11-12(2)3)17-16(10-18-15-7-8-15)13(4)9-14(5)19-17/h9,15,18H,2,6-8,10-11H2,1,3-5H3
InChIKeyAVSOKAOLRTYORP-UHFFFAOYSA-N
XLogP3.35
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-N-ethyl-4,6-dimethyl-N-(2-methylprop-2-enyl)pyridin-2-amine?
The IUPAC name of 3-[(cyclopropylamino)methyl]-N-ethyl-4,6-dimethyl-N-(2-methylprop-2-enyl)pyridin-2-amine (CID 62279990) is 3-[(cyclopropylamino)methyl]-N-ethyl-4,6-dimethyl-N-(2-methylprop-2-enyl)pyridin-2-amine.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-N-ethyl-4,6-dimethyl-N-(2-methylprop-2-enyl)pyridin-2-amine?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-N-ethyl-4,6-dimethyl-N-(2-methylprop-2-enyl)pyridin-2-amine is C=C(C)CN(CC)c1nc(C)cc(C)c1CNC1CC1.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-N-ethyl-4,6-dimethyl-N-(2-methylprop-2-enyl)pyridin-2-amine?
The InChIKey is AVSOKAOLRTYORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-6-20(11-12(2)3)17-16(10-18-15-7-8-15)13(4)9-14(5)19-17/h9,15,18H,2,6-8,10-11H2,1,3-5H3.
What are the key properties of 3-[(cyclopropylamino)methyl]-N-ethyl-4,6-dimethyl-N-(2-methylprop-2-enyl)pyridin-2-amine?
3-[(cyclopropylamino)methyl]-N-ethyl-4,6-dimethyl-N-(2-methylprop-2-enyl)pyridin-2-amine has a molecular weight of 273.42 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylamino)methyl]-N-ethyl-4,6-dimethyl-N-(2-methylprop-2-enyl)pyridin-2-amine is sourced from PubChem (CID 62279990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).