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

C17H28N4 — CID 62288556

IUPACN-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(N2CCN(C3CC3)CC2)nc1
InChIInChI=1S/C17H28N4/c1-14(2)11-18-12-15-3-6-17(19-13-15)21-9-7-20(8-10-21)16-4-5-16/h3,6,13-14,16,18H,4-5,7-12H2,1-2H3
InChIKeyDUIWXUMLBRTGPT-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.11
Rot. Bonds6

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

N-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 62288556) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID62288556
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC NameN-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(N2CCN(C3CC3)CC2)nc1
InChIInChI=1S/C17H28N4/c1-14(2)11-18-12-15-3-6-17(19-13-15)21-9-7-20(8-10-21)16-4-5-16/h3,6,13-14,16,18H,4-5,7-12H2,1-2H3
InChIKeyDUIWXUMLBRTGPT-UHFFFAOYSA-N
XLogP2.11
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 60777709
N-[[6-(azocan-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62279303
1-[1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-4-yl]ethanol
CID 106836671
2-methyl-N-[[6-(4-methylazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 63625251
1-[4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 80632248
[1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-yl]methanol
CID 80629932
2-methyl-N-[[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-1-amine
CID 66371207
1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-ol
CID 80630040
N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64579644
N-[[6-(2,2-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62281742
1-[1-[5-(ethylaminomethyl)-2-pyridinyl]piperidin-4-yl]ethanol
CID 106836727
4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one
CID 80635677

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine (CID 62288556) is N-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccc(N2CCN(C3CC3)CC2)nc1.
What is the InChIKey of N-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is DUIWXUMLBRTGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-14(2)11-18-12-15-3-6-17(19-13-15)21-9-7-20(8-10-21)16-4-5-16/h3,6,13-14,16,18H,4-5,7-12H2,1-2H3.
What are the key properties of N-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 288.44 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62288556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).