N-[[3-(3-ethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine

C16H25N3 — CID 105073026

IUPACN-[[3-(3-ethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
SMILESCCC1CCCN(c2cnccc2CNC2CC2)C1
InChIInChI=1S/C16H25N3/c1-2-13-4-3-9-19(12-13)16-11-17-8-7-14(16)10-18-15-5-6-15/h7-8,11,13,15,18H,2-6,9-10,12H2,1H3
InChIKeyLKPIEHNMWZOULQ-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.96
Rot. Bonds5

About N-[[3-(3-ethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine

N-[[3-(3-ethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine (PubChem CID 105073026) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[[3-(3-ethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(3-ethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
PubChem CID105073026
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-[[3-(3-ethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
SMILESCCC1CCCN(c2cnccc2CNC2CC2)C1
InChIInChI=1S/C16H25N3/c1-2-13-4-3-9-19(12-13)16-11-17-8-7-14(16)10-18-15-5-6-15/h7-8,11,13,15,18H,2-6,9-10,12H2,1H3
InChIKeyLKPIEHNMWZOULQ-UHFFFAOYSA-N
XLogP2.96
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-ethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(3-ethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine (CID 105073026) is N-[[3-(3-ethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(3-ethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(3-ethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine is CCC1CCCN(c2cnccc2CNC2CC2)C1.
What is the InChIKey of N-[[3-(3-ethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
The InChIKey is LKPIEHNMWZOULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-2-13-4-3-9-19(12-13)16-11-17-8-7-14(16)10-18-15-5-6-15/h7-8,11,13,15,18H,2-6,9-10,12H2,1H3.
What are the key properties of N-[[3-(3-ethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
N-[[3-(3-ethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine has a molecular weight of 259.40 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-ethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 105073026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).