N-[[6-(2,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine

C17H27N3 — CID 80636282

IUPACN-[[6-(2,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)cnc1N1CCC(C)CC1C
InChIInChI=1S/C17H27N3/c1-12-6-7-20(14(3)8-12)17-13(2)9-15(11-19-17)10-18-16-4-5-16/h9,11-12,14,16,18H,4-8,10H2,1-3H3
InChIKeyLPFWMCVVETYNCB-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.27
Rot. Bonds4

About N-[[6-(2,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine

N-[[6-(2,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 80636282) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[[6-(2,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(2,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
PubChem CID80636282
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-[[6-(2,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)cnc1N1CCC(C)CC1C
InChIInChI=1S/C17H27N3/c1-12-6-7-20(14(3)8-12)17-13(2)9-15(11-19-17)10-18-16-4-5-16/h9,11-12,14,16,18H,4-8,10H2,1-3H3
InChIKeyLPFWMCVVETYNCB-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Benzylamino)pyridine
CID 23362
WZ 811
CID 11565518
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
1-[3-(Trifluoromethyl)pyridin-2-yl]piperazine
CID 2777786
N-cyclohexyl-4-methylpyridin-2-amine
CID 2366458
Thiourea, N-(2-(1-(phenylmethyl)-4-piperidinyl)ethyl)-N'-2-pyridinyl-
CID 3073135
4-Methyl-6-(2-(5-(3-(Methylamino)propyl)pyridin-3-Yl)ethyl)pyridin-2-Amine
CID 119081688
(R)-4-isobutyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
CID 134265727
(R)-4-propyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
CID 134265828
2-(1,2-Diphenylethylamino)-pyridine
CID 3057340
1,2,3,4-Tetrahydro-1,8-naphthyridine
CID 13047367
N-Cyclohexylpyridin-2-amine
CID 84957

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(2,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine (CID 80636282) is N-[[6-(2,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(2,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(2,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine is Cc1cc(CNC2CC2)cnc1N1CCC(C)CC1C.
What is the InChIKey of N-[[6-(2,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is LPFWMCVVETYNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-12-6-7-20(14(3)8-12)17-13(2)9-15(11-19-17)10-18-16-4-5-16/h9,11-12,14,16,18H,4-8,10H2,1-3H3.
What are the key properties of N-[[6-(2,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine?
N-[[6-(2,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 273.42 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 80636282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).