2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-N-propylpyridin-4-amine

C17H30N4 — CID 79244278

IUPAC2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(CN2CCC(N(CC)CC)C2)c1
InChIInChI=1S/C17H30N4/c1-4-9-18-15-7-10-19-16(12-15)13-20-11-8-17(14-20)21(5-2)6-3/h7,10,12,17H,4-6,8-9,11,13-14H2,1-3H3,(H,18,19)
InChIKeyZCTZXGVSQBZYDF-UHFFFAOYSA-N
MW290.46 g/mol
LogP2.82
Rot. Bonds8

About 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-N-propylpyridin-4-amine

2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-N-propylpyridin-4-amine (PubChem CID 79244278) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-N-propylpyridin-4-amine.

Molecular Properties

Compound Name2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-N-propylpyridin-4-amine
PubChem CID79244278
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(CN2CCC(N(CC)CC)C2)c1
InChIInChI=1S/C17H30N4/c1-4-9-18-15-7-10-19-16(12-15)13-20-11-8-17(14-20)21(5-2)6-3/h7,10,12,17H,4-6,8-9,11,13-14H2,1-3H3,(H,18,19)
InChIKeyZCTZXGVSQBZYDF-UHFFFAOYSA-N
XLogP2.82
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-tert-butylpiperazin-1-yl)methyl]-N-propylpyridin-4-amine
CID 79245524
1-[[2-(aminomethyl)-4-pyridinyl]methyl]-N,N-diethylpyrrolidin-3-amine
CID 63888264
N-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyridin-4-amine
CID 79245667
N-ethyl-2-[(3-propylpyrrolidin-1-yl)methyl]pyridin-4-amine
CID 112549006
4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]pyridin-2-amine
CID 63165878
2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-4-amine
CID 83221527
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-N-propylpyridin-4-amine
CID 79245640
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-propylpyridin-4-amine
CID 79245125
2-[(3-methylpyrazol-1-yl)methyl]-N-propylpyridin-4-amine
CID 79251814
2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-propylpyridin-4-amine
CID 79250929
2-[[cyclopropyl(ethyl)amino]methyl]-N-ethylpyridin-4-amine
CID 79244635
N-propyl-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridin-4-amine
CID 79251471

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-N-propylpyridin-4-amine?
The IUPAC name of 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-N-propylpyridin-4-amine (CID 79244278) is 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-N-propylpyridin-4-amine.
What is the SMILES notation for 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-N-propylpyridin-4-amine?
The canonical SMILES for 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-N-propylpyridin-4-amine is CCCNc1ccnc(CN2CCC(N(CC)CC)C2)c1.
What is the InChIKey of 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-N-propylpyridin-4-amine?
The InChIKey is ZCTZXGVSQBZYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-4-9-18-15-7-10-19-16(12-15)13-20-11-8-17(14-20)21(5-2)6-3/h7,10,12,17H,4-6,8-9,11,13-14H2,1-3H3,(H,18,19).
What are the key properties of 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-N-propylpyridin-4-amine?
2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-N-propylpyridin-4-amine has a molecular weight of 290.46 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-N-propylpyridin-4-amine is sourced from PubChem (CID 79244278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).