N-[[6-(4,4-diethylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine

C18H29N3 — CID 63159883

IUPACN-[[6-(4,4-diethylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
SMILESCCC1(CC)CCN(c2cccc(CNC3CC3)n2)CC1
InChIInChI=1S/C18H29N3/c1-3-18(4-2)10-12-21(13-11-18)17-7-5-6-16(20-17)14-19-15-8-9-15/h5-7,15,19H,3-4,8-14H2,1-2H3
InChIKeyISTIKBNFOPEWGE-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.74
Rot. Bonds6

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

N-[[6-(4,4-diethylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 63159883) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[[6-(4,4-diethylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(4,4-diethylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
PubChem CID63159883
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-[[6-(4,4-diethylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
SMILESCCC1(CC)CCN(c2cccc(CNC3CC3)n2)CC1
InChIInChI=1S/C18H29N3/c1-3-18(4-2)10-12-21(13-11-18)17-7-5-6-16(20-17)14-19-15-8-9-15/h5-7,15,19H,3-4,8-14H2,1-2H3
InChIKeyISTIKBNFOPEWGE-UHFFFAOYSA-N
XLogP3.74
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(4,4-diethylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(4,4-diethylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine (CID 63159883) is N-[[6-(4,4-diethylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(4,4-diethylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(4,4-diethylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine is CCC1(CC)CCN(c2cccc(CNC3CC3)n2)CC1.
What is the InChIKey of N-[[6-(4,4-diethylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is ISTIKBNFOPEWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-3-18(4-2)10-12-21(13-11-18)17-7-5-6-16(20-17)14-19-15-8-9-15/h5-7,15,19H,3-4,8-14H2,1-2H3.
What are the key properties of N-[[6-(4,4-diethylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
N-[[6-(4,4-diethylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 287.45 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4,4-diethylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 63159883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).