5-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-N-propylpyridine-3,5-diamine

C15H26N4 — CID 104533114

IUPAC5-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(NCC2CCN(CC)C2)c1
InChIInChI=1S/C15H26N4/c1-3-6-17-14-8-15(11-16-10-14)18-9-13-5-7-19(4-2)12-13/h8,10-11,13,17-18H,3-7,9,12H2,1-2H3
InChIKeyZUWKABFOIBWADS-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.66
Rot. Bonds7

About 5-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-N-propylpyridine-3,5-diamine

5-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-N-propylpyridine-3,5-diamine (PubChem CID 104533114) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 5-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-N-propylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-N-propylpyridine-3,5-diamine
PubChem CID104533114
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name5-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(NCC2CCN(CC)C2)c1
InChIInChI=1S/C15H26N4/c1-3-6-17-14-8-15(11-16-10-14)18-9-13-5-7-19(4-2)12-13/h8,10-11,13,17-18H,3-7,9,12H2,1-2H3
InChIKeyZUWKABFOIBWADS-UHFFFAOYSA-N
XLogP2.66
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[(1-ethylpyrrolidin-3-yl)methyl]-4-methylbenzene-1,3-diamine
CID 62911118
5-N-[(1,1-dioxothiolan-3-yl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104534160
3-N-propyl-5-N-(1-propylpiperidin-4-yl)pyridine-3,5-diamine
CID 104533592
[2-[[[5-(propylamino)-3-pyridinyl]amino]methyl]cyclohexyl]methanol
CID 104535105
[2-[[[5-(propylamino)-3-pyridinyl]amino]methyl]cyclopentyl]methanol
CID 104535101
2-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 80791122
N-[(1-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylpyrimidin-4-amine
CID 54939293
N-[(1-ethylpyrrolidin-3-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine
CID 131929255
N-[(1-ethylpyrrolidin-3-yl)methyl]-3-hydrazinyl-5-nitroaniline
CID 80898853
N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypyrimidin-2-amine
CID 114600387
5-[4-(methoxymethyl)piperidin-1-yl]-N-propylpyridin-3-amine
CID 104534758
N-[[1-[5-(propylamino)-3-pyridinyl]piperidin-4-yl]methyl]acetamide
CID 102737072

Frequently Asked Questions

What is the IUPAC name of 5-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-N-propylpyridine-3,5-diamine?
The IUPAC name of 5-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-N-propylpyridine-3,5-diamine (CID 104533114) is 5-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-N-propylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-N-propylpyridine-3,5-diamine?
The canonical SMILES for 5-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-N-propylpyridine-3,5-diamine is CCCNc1cncc(NCC2CCN(CC)C2)c1.
What is the InChIKey of 5-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-N-propylpyridine-3,5-diamine?
The InChIKey is ZUWKABFOIBWADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-3-6-17-14-8-15(11-16-10-14)18-9-13-5-7-19(4-2)12-13/h8,10-11,13,17-18H,3-7,9,12H2,1-2H3.
What are the key properties of 5-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-N-propylpyridine-3,5-diamine?
5-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-N-propylpyridine-3,5-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-N-propylpyridine-3,5-diamine is sourced from PubChem (CID 104533114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).