N-[[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine

C17H28N4 — CID 63169108

IUPACN-[[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccnc(N2CCC(N3CCCC3)C2)c1
InChIInChI=1S/C17H28N4/c1-14(2)19-12-15-5-7-18-17(11-15)21-10-6-16(13-21)20-8-3-4-9-20/h5,7,11,14,16,19H,3-4,6,8-10,12-13H2,1-2H3
InChIKeyDNPJDBZXHRFQSE-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.25
Rot. Bonds5

About N-[[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine

N-[[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine (PubChem CID 63169108) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
PubChem CID63169108
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC NameN-[[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccnc(N2CCC(N3CCCC3)C2)c1
InChIInChI=1S/C17H28N4/c1-14(2)19-12-15-5-7-18-17(11-15)21-10-6-16(13-21)20-8-3-4-9-20/h5,7,11,14,16,19H,3-4,6,8-10,12-13H2,1-2H3
InChIKeyDNPJDBZXHRFQSE-UHFFFAOYSA-N
XLogP2.25
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 55055040
N-[[2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 62288369
N-[[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-pyridinyl]methyl]propan-2-amine
CID 79934229
N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-pyridinyl]methyl]ethanamine
CID 79925273
N-[[6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-2-pyridinyl]methyl]propan-2-amine
CID 63169196
N-[[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-3-pyridinyl]methyl]propan-2-amine
CID 63151739
N-[[2-(1,4-thiazepan-4-yl)-4-pyridinyl]methyl]propan-2-amine
CID 55059045
N-[[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114172687
4-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine
CID 72871048
[2-(3-morpholin-4-ylpyrrolidin-1-yl)-4-pyridinyl]methanol
CID 63171090
4-ethyl-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine
CID 170397345
2-methyl-N-[[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 62282295

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine (CID 63169108) is N-[[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine is CC(C)NCc1ccnc(N2CCC(N3CCCC3)C2)c1.
What is the InChIKey of N-[[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is DNPJDBZXHRFQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-14(2)19-12-15-5-7-18-17(11-15)21-10-6-16(13-21)20-8-3-4-9-20/h5,7,11,14,16,19H,3-4,6,8-10,12-13H2,1-2H3.
What are the key properties of N-[[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
N-[[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 288.44 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 63169108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).