2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propylpyridin-4-amine

C16H28N4 — CID 79313466

IUPAC2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(CN(C)CC2CCCN2C)c1
InChIInChI=1S/C16H28N4/c1-4-8-17-14-7-9-18-15(11-14)12-19(2)13-16-6-5-10-20(16)3/h7,9,11,16H,4-6,8,10,12-13H2,1-3H3,(H,17,18)
InChIKeyVRUPRLBREKQDHU-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.43
Rot. Bonds7

About 2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propylpyridin-4-amine

2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propylpyridin-4-amine (PubChem CID 79313466) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propylpyridin-4-amine.

Molecular Properties

Compound Name2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propylpyridin-4-amine
PubChem CID79313466
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(CN(C)CC2CCCN2C)c1
InChIInChI=1S/C16H28N4/c1-4-8-17-14-7-9-18-15(11-14)12-19(2)13-16-6-5-10-20(16)3/h7,9,11,16H,4-6,8,10,12-13H2,1-3H3,(H,17,18)
InChIKeyVRUPRLBREKQDHU-UHFFFAOYSA-N
XLogP2.43
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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-ethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]pyridin-4-amine
CID 79313465
N-methyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]pyridin-4-amine
CID 79313187
2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]-N-propylpyridin-4-amine
CID 79251024
5-chloro-6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propylpyridin-2-amine
CID 79309758
N,N,N'-trimethyl-N'-[[4-(propylamino)-2-pyridinyl]methyl]ethane-1,2-diamine
CID 79250847
2-[methyl-[[4-(propylamino)-2-pyridinyl]methyl]amino]ethanol
CID 79244315
2-[[3-methoxypropyl(methyl)amino]methyl]-N-propylpyridin-4-amine
CID 79251101
N-[[6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-2-pyridinyl]methyl]ethanamine
CID 106906836
2-[cyanomethyl-[[4-(propylamino)-2-pyridinyl]methyl]amino]acetonitrile
CID 79245643
2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-N-propylpyridin-4-amine
CID 79244278
N-[(6-hydrazinyl-3-pyridinyl)methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
CID 79312971
N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-propylethane-1,2-diamine
CID 79314040

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propylpyridin-4-amine?
The IUPAC name of 2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propylpyridin-4-amine (CID 79313466) is 2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propylpyridin-4-amine.
What is the SMILES notation for 2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propylpyridin-4-amine?
The canonical SMILES for 2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propylpyridin-4-amine is CCCNc1ccnc(CN(C)CC2CCCN2C)c1.
What is the InChIKey of 2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propylpyridin-4-amine?
The InChIKey is VRUPRLBREKQDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-4-8-17-14-7-9-18-15(11-14)12-19(2)13-16-6-5-10-20(16)3/h7,9,11,16H,4-6,8,10,12-13H2,1-3H3,(H,17,18).
What are the key properties of 2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propylpyridin-4-amine?
2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propylpyridin-4-amine has a molecular weight of 276.43 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propylpyridin-4-amine is sourced from PubChem (CID 79313466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).