N-[[4,6-dimethyl-2-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine

C17H27N3 — CID 62285086

IUPACN-[[4,6-dimethyl-2-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1cc(C)c(CNC2CC2)c(N2CCCC(C)C2)n1
InChIInChI=1S/C17H27N3/c1-12-5-4-8-20(11-12)17-16(10-18-15-6-7-15)13(2)9-14(3)19-17/h9,12,15,18H,4-8,10-11H2,1-3H3
InChIKeyYKJKZFKMDIZHFC-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.19
Rot. Bonds4

About N-[[4,6-dimethyl-2-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine

N-[[4,6-dimethyl-2-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 62285086) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[[4,6-dimethyl-2-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4,6-dimethyl-2-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID62285086
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-[[4,6-dimethyl-2-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1cc(C)c(CNC2CC2)c(N2CCCC(C)C2)n1
InChIInChI=1S/C17H27N3/c1-12-5-4-8-20(11-12)17-16(10-18-15-6-7-15)13(2)9-14(3)19-17/h9,12,15,18H,4-8,10-11H2,1-3H3
InChIKeyYKJKZFKMDIZHFC-UHFFFAOYSA-N
XLogP3.19
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4,6-dimethyl-2-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4,6-dimethyl-2-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine (CID 62285086) is N-[[4,6-dimethyl-2-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4,6-dimethyl-2-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4,6-dimethyl-2-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine is Cc1cc(C)c(CNC2CC2)c(N2CCCC(C)C2)n1.
What is the InChIKey of N-[[4,6-dimethyl-2-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is YKJKZFKMDIZHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-12-5-4-8-20(11-12)17-16(10-18-15-6-7-15)13(2)9-14(3)19-17/h9,12,15,18H,4-8,10-11H2,1-3H3.
What are the key properties of N-[[4,6-dimethyl-2-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
N-[[4,6-dimethyl-2-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 273.42 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-dimethyl-2-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 62285086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).