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

C18H29N3 — CID 62281278

IUPACN-[[2-(2-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine
SMILESCCC1CCCCN1c1nc(C)cc(C)c1CNC1CC1
InChIInChI=1S/C18H29N3/c1-4-16-7-5-6-10-21(16)18-17(12-19-15-8-9-15)13(2)11-14(3)20-18/h11,15-16,19H,4-10,12H2,1-3H3
InChIKeyCMGURAJHWDZHQE-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.72
Rot. Bonds5

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

N-[[2-(2-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 62281278) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[[2-(2-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine
PubChem CID62281278
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-[[2-(2-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine
SMILESCCC1CCCCN1c1nc(C)cc(C)c1CNC1CC1
InChIInChI=1S/C18H29N3/c1-4-16-7-5-6-10-21(16)18-17(12-19-15-8-9-15)13(2)11-14(3)20-18/h11,15-16,19H,4-10,12H2,1-3H3
InChIKeyCMGURAJHWDZHQE-UHFFFAOYSA-N
XLogP3.72
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine
CID 62281276
[2-(2-ethylpyrrolidin-1-yl)-4,6-dimethyl-3-pyridinyl]methanol
CID 61254337
3-(chloromethyl)-2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine
CID 61255936
1-[1-[4,6-dimethyl-3-(methylaminomethyl)-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62889389
N-[[4,6-dimethyl-2-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62285086
N-[[4,6-dimethyl-2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62973725
2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 61175735
N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine
CID 62294480
N-[(4,6-dimethyl-2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanamine
CID 55059747
N-[[4-(2-ethylazepan-1-yl)-2-methylphenyl]methyl]cyclopropanamine
CID 104690769
N-[[2-(4,5-dimethylimidazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine
CID 62351327
4-(2-ethylazepan-1-yl)-N,6-dimethylpyrimidin-2-amine
CID 113442061

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine (CID 62281278) is N-[[2-(2-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine is CCC1CCCCN1c1nc(C)cc(C)c1CNC1CC1.
What is the InChIKey of N-[[2-(2-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is CMGURAJHWDZHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-4-16-7-5-6-10-21(16)18-17(12-19-15-8-9-15)13(2)11-14(3)20-18/h11,15-16,19H,4-10,12H2,1-3H3.
What are the key properties of N-[[2-(2-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine?
N-[[2-(2-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 287.45 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 62281278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).