N-[[6-methyl-4-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine

C17H29N3 — CID 103502997

IUPACN-[[6-methyl-4-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(C)cc1N1CCC(C(C)C)CC1
InChIInChI=1S/C17H29N3/c1-5-18-11-16-12-19-14(4)10-17(16)20-8-6-15(7-9-20)13(2)3/h10,12-13,15,18H,5-9,11H2,1-4H3
InChIKeyKBSZPADFUHZOJA-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.37
Rot. Bonds5

About N-[[6-methyl-4-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine

N-[[6-methyl-4-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine (PubChem CID 103502997) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[6-methyl-4-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-methyl-4-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
PubChem CID103502997
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[[6-methyl-4-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(C)cc1N1CCC(C(C)C)CC1
InChIInChI=1S/C17H29N3/c1-5-18-11-16-12-19-14(4)10-17(16)20-8-6-15(7-9-20)13(2)3/h10,12-13,15,18H,5-9,11H2,1-4H3
InChIKeyKBSZPADFUHZOJA-UHFFFAOYSA-N
XLogP3.37
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-4-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-methyl-4-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine (CID 103502997) is N-[[6-methyl-4-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-methyl-4-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-methyl-4-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine is CCNCc1cnc(C)cc1N1CCC(C(C)C)CC1.
What is the InChIKey of N-[[6-methyl-4-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine?
The InChIKey is KBSZPADFUHZOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-5-18-11-16-12-19-14(4)10-17(16)20-8-6-15(7-9-20)13(2)3/h10,12-13,15,18H,5-9,11H2,1-4H3.
What are the key properties of N-[[6-methyl-4-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine?
N-[[6-methyl-4-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine has a molecular weight of 275.44 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-4-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 103502997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).