N-[[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine

C17H30N4 — CID 80638985

IUPACN-[[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(CNC(C)(C)C)cnc1N1CCN(C)C(C)C1
InChIInChI=1S/C17H30N4/c1-13-9-15(11-19-17(3,4)5)10-18-16(13)21-8-7-20(6)14(2)12-21/h9-10,14,19H,7-8,11-12H2,1-6H3
InChIKeySKIDEWUPBYTNRS-UHFFFAOYSA-N
MW290.46 g/mol
LogP2.42
Rot. Bonds3

About N-[[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 80638985) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is N-[[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID80638985
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC NameN-[[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(CNC(C)(C)C)cnc1N1CCN(C)C(C)C1
InChIInChI=1S/C17H30N4/c1-13-9-15(11-19-17(3,4)5)10-18-16(13)21-8-7-20(6)14(2)12-21/h9-10,14,19H,7-8,11-12H2,1-6H3
InChIKeySKIDEWUPBYTNRS-UHFFFAOYSA-N
XLogP2.42
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

1-(2-Pyridyl)piperazine
CID 94459
2-(Piperazin-1-yl)pyridine-3-carbonitrile
CID 2737203
1-[3-(Trifluoromethyl)pyridin-2-yl]piperazine
CID 2777786
N-cyclohexyl-4-methylpyridin-2-amine
CID 2366458
N1,N1-Dimethyl-N2-2-pyridinyl-1,2-ethanediamine
CID 90273
1-(3-Fluoro-2-pyridinyl)piperazine
CID 134987
1-(3-Iodopyridin-2-yl)piperazine
CID 11500225
6-Methyl-N4-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 2725571
(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
6-(1,4-Diazepan-1-yl)nicotinonitrile
CID 2747101
3-Pyridinecarbonitrile, 6-(4-methyl-1-piperazinyl)-
CID 3042935

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine (CID 80638985) is N-[[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine is Cc1cc(CNC(C)(C)C)cnc1N1CCN(C)C(C)C1.
What is the InChIKey of N-[[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is SKIDEWUPBYTNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-13-9-15(11-19-17(3,4)5)10-18-16(13)21-8-7-20(6)14(2)12-21/h9-10,14,19H,7-8,11-12H2,1-6H3.
What are the key properties of N-[[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 290.46 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 80638985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).