3-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine

C16H28N4 — CID 62469718

IUPAC3-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1CN1CCN(C(C)C)CC1
InChIInChI=1S/C16H28N4/c1-4-7-17-16-15(6-5-8-18-16)13-19-9-11-20(12-10-19)14(2)3/h5-6,8,14H,4,7,9-13H2,1-3H3,(H,17,18)
InChIKeyGGKUHHBIBYHDDR-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.43
Rot. Bonds6

About 3-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine

3-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine (PubChem CID 62469718) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 3-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name3-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine
PubChem CID62469718
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name3-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1CN1CCN(C(C)C)CC1
InChIInChI=1S/C16H28N4/c1-4-7-17-16-15(6-5-8-18-16)13-19-9-11-20(12-10-19)14(2)3/h5-6,8,14H,4,7,9-13H2,1-3H3,(H,17,18)
InChIKeyGGKUHHBIBYHDDR-UHFFFAOYSA-N
XLogP2.43
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-3-(pyrrolidin-1-ylmethyl)pyridin-2-amine
CID 62470751
1-[4-[[2-(propylamino)-3-pyridinyl]methyl]piperazin-1-yl]ethanone
CID 62470561
3-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine
CID 62470227
3-[(4-methylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine
CID 62470200
3-[(3-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-2-amine
CID 55075699
4-methyl-1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-4-ol
CID 107408579
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N-propylpyridin-2-amine
CID 63024773
3-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine
CID 62472253
3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-N-propylpyridin-2-amine
CID 79164091
1-[[2-(propylamino)-3-pyridinyl]methyl]pyridin-4-one
CID 62880693
2-[1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]ethanol
CID 114799919
3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine
CID 107394997

Frequently Asked Questions

What is the IUPAC name of 3-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine?
The IUPAC name of 3-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine (CID 62469718) is 3-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 3-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 3-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine is CCCNc1ncccc1CN1CCN(C(C)C)CC1.
What is the InChIKey of 3-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine?
The InChIKey is GGKUHHBIBYHDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-4-7-17-16-15(6-5-8-18-16)13-19-9-11-20(12-10-19)14(2)3/h5-6,8,14H,4,7,9-13H2,1-3H3,(H,17,18).
What are the key properties of 3-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine?
3-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine has a molecular weight of 276.43 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 62469718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).