3-N-[2-(azetidin-1-yl)ethyl]pyridine-3,4-diamine

C10H16N4 — CID 164651945

IUPAC3-N-[2-(azetidin-1-yl)ethyl]pyridine-3,4-diamine
SMILESNc1ccncc1NCCN1CCC1
InChIInChI=1S/C10H16N4/c11-9-2-3-12-8-10(9)13-4-7-14-5-1-6-14/h2-3,8,13H,1,4-7H2,(H2,11,12)
InChIKeyGFAWYCYOHPDSBU-UHFFFAOYSA-N
MW192.27 g/mol
LogP0.78
Rot. Bonds4

About 3-N-[2-(azetidin-1-yl)ethyl]pyridine-3,4-diamine

3-N-[2-(azetidin-1-yl)ethyl]pyridine-3,4-diamine (PubChem CID 164651945) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 3-N-[2-(azetidin-1-yl)ethyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name3-N-[2-(azetidin-1-yl)ethyl]pyridine-3,4-diamine
PubChem CID164651945
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name3-N-[2-(azetidin-1-yl)ethyl]pyridine-3,4-diamine
SMILESNc1ccncc1NCCN1CCC1
InChIInChI=1S/C10H16N4/c11-9-2-3-12-8-10(9)13-4-7-14-5-1-6-14/h2-3,8,13H,1,4-7H2,(H2,11,12)
InChIKeyGFAWYCYOHPDSBU-UHFFFAOYSA-N
XLogP0.78
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 103137737
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CID 60924256
3-N-but-3-enylpyridine-3,4-diamine
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2-N-[2-(azetidin-1-yl)ethyl]pyrimidine-2,5-diamine
CID 164651947
4-bromo-1-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine
CID 62642302
1-N-[2-(azepan-1-yl)ethyl]-4-methylbenzene-1,2-diamine
CID 61242311
2-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,2-diamine
CID 22184577
3-chloro-1-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine
CID 104834468
4-(propylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
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CID 61102870

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(azetidin-1-yl)ethyl]pyridine-3,4-diamine?
The IUPAC name of 3-N-[2-(azetidin-1-yl)ethyl]pyridine-3,4-diamine (CID 164651945) is 3-N-[2-(azetidin-1-yl)ethyl]pyridine-3,4-diamine.
What is the SMILES notation for 3-N-[2-(azetidin-1-yl)ethyl]pyridine-3,4-diamine?
The canonical SMILES for 3-N-[2-(azetidin-1-yl)ethyl]pyridine-3,4-diamine is Nc1ccncc1NCCN1CCC1.
What is the InChIKey of 3-N-[2-(azetidin-1-yl)ethyl]pyridine-3,4-diamine?
The InChIKey is GFAWYCYOHPDSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c11-9-2-3-12-8-10(9)13-4-7-14-5-1-6-14/h2-3,8,13H,1,4-7H2,(H2,11,12).
What are the key properties of 3-N-[2-(azetidin-1-yl)ethyl]pyridine-3,4-diamine?
3-N-[2-(azetidin-1-yl)ethyl]pyridine-3,4-diamine has a molecular weight of 192.27 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(azetidin-1-yl)ethyl]pyridine-3,4-diamine is sourced from PubChem (CID 164651945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).