4-N-[1-(furan-2-yl)propan-2-yl]pyridine-3,4-diamine

C12H15N3O — CID 61469609

IUPAC4-N-[1-(furan-2-yl)propan-2-yl]pyridine-3,4-diamine
SMILESCC(Cc1ccco1)Nc1ccncc1N
InChIInChI=1S/C12H15N3O/c1-9(7-10-3-2-6-16-10)15-12-4-5-14-8-11(12)13/h2-6,8-9H,7,13H2,1H3,(H,14,15)
InChIKeyVKMJYCJBCGWYNF-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.30
Rot. Bonds4

About 4-N-[1-(furan-2-yl)propan-2-yl]pyridine-3,4-diamine

4-N-[1-(furan-2-yl)propan-2-yl]pyridine-3,4-diamine (PubChem CID 61469609) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-N-[1-(furan-2-yl)propan-2-yl]pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-[1-(furan-2-yl)propan-2-yl]pyridine-3,4-diamine
PubChem CID61469609
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-N-[1-(furan-2-yl)propan-2-yl]pyridine-3,4-diamine
SMILESCC(Cc1ccco1)Nc1ccncc1N
InChIInChI=1S/C12H15N3O/c1-9(7-10-3-2-6-16-10)15-12-4-5-14-8-11(12)13/h2-6,8-9H,7,13H2,1H3,(H,14,15)
InChIKeyVKMJYCJBCGWYNF-UHFFFAOYSA-N
XLogP2.30
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(furan-2-yl)propan-2-yl]pyridin-4-amine
CID 61043048
4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747446
N-[1-(furan-2-yl)propan-2-yl]-4-hydrazinylpyridine-3-carboxamide
CID 81256734
4-N-(5-methylhexan-2-yl)pyridine-3,4-diamine
CID 63926910
N-[1-(furan-2-yl)propan-2-yl]-6-hydrazinylpyrazin-2-amine
CID 80896852
3-amino-4-[1-(furan-2-yl)propan-2-ylamino]benzoic acid
CID 61471368
N-[1-(furan-2-yl)propan-2-yl]-2-methylsulfanylaniline
CID 63086307
N-[1-(furan-2-yl)propan-2-yl]-5-iodopyrimidin-2-amine
CID 104840074
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
N-[1-(furan-2-yl)propan-2-yl]-5-methylpyridin-3-amine
CID 107584649
4-bromo-5-fluoro-2-N-[1-(furan-2-yl)propan-2-yl]benzene-1,2-diamine
CID 116735654
2,3-difluoro-N-[1-(furan-2-yl)propan-2-yl]aniline
CID 63085318

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(furan-2-yl)propan-2-yl]pyridine-3,4-diamine?
The IUPAC name of 4-N-[1-(furan-2-yl)propan-2-yl]pyridine-3,4-diamine (CID 61469609) is 4-N-[1-(furan-2-yl)propan-2-yl]pyridine-3,4-diamine.
What is the SMILES notation for 4-N-[1-(furan-2-yl)propan-2-yl]pyridine-3,4-diamine?
The canonical SMILES for 4-N-[1-(furan-2-yl)propan-2-yl]pyridine-3,4-diamine is CC(Cc1ccco1)Nc1ccncc1N.
What is the InChIKey of 4-N-[1-(furan-2-yl)propan-2-yl]pyridine-3,4-diamine?
The InChIKey is VKMJYCJBCGWYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9(7-10-3-2-6-16-10)15-12-4-5-14-8-11(12)13/h2-6,8-9H,7,13H2,1H3,(H,14,15).
What are the key properties of 4-N-[1-(furan-2-yl)propan-2-yl]pyridine-3,4-diamine?
4-N-[1-(furan-2-yl)propan-2-yl]pyridine-3,4-diamine has a molecular weight of 217.27 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(furan-2-yl)propan-2-yl]pyridine-3,4-diamine is sourced from PubChem (CID 61469609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).