2-N-[4-(furan-2-yl)butan-2-yl]-3-methylpyridine-2,5-diamine

C14H19N3O — CID 55080552

IUPAC2-N-[4-(furan-2-yl)butan-2-yl]-3-methylpyridine-2,5-diamine
SMILESCc1cc(N)cnc1NC(C)CCc1ccco1
InChIInChI=1S/C14H19N3O/c1-10-8-12(15)9-16-14(10)17-11(2)5-6-13-4-3-7-18-13/h3-4,7-9,11H,5-6,15H2,1-2H3,(H,16,17)
InChIKeyXSIGQLALRMWTSN-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.00
Rot. Bonds5

About 2-N-[4-(furan-2-yl)butan-2-yl]-3-methylpyridine-2,5-diamine

2-N-[4-(furan-2-yl)butan-2-yl]-3-methylpyridine-2,5-diamine (PubChem CID 55080552) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-N-[4-(furan-2-yl)butan-2-yl]-3-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[4-(furan-2-yl)butan-2-yl]-3-methylpyridine-2,5-diamine
PubChem CID55080552
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-N-[4-(furan-2-yl)butan-2-yl]-3-methylpyridine-2,5-diamine
SMILESCc1cc(N)cnc1NC(C)CCc1ccco1
InChIInChI=1S/C14H19N3O/c1-10-8-12(15)9-16-14(10)17-11(2)5-6-13-4-3-7-18-13/h3-4,7-9,11H,5-6,15H2,1-2H3,(H,16,17)
InChIKeyXSIGQLALRMWTSN-UHFFFAOYSA-N
XLogP3.00
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[4-(furan-2-yl)butan-2-yl]-4-methylpyridine-2,5-diamine
CID 79173050
N-[4-(furan-2-yl)butan-2-yl]-5-methyl-3-nitropyridin-2-amine
CID 66280485
6-chloro-N-[4-(furan-2-yl)butan-2-yl]-5-methylpyrimidin-4-amine
CID 63727965
2-[4-(furan-2-yl)butan-2-ylamino]pyridine-3-carboxamide
CID 60726854
N-[4-(furan-2-yl)butan-2-yl]quinoxalin-2-amine
CID 60716487
2-N-[4-(furan-2-yl)butan-2-yl]-4,5-dimethoxybenzene-1,2-diamine
CID 83004449
5-chloro-2-N-ethyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-2,4-diamine
CID 80805349
2-N-[4-(furan-2-yl)butan-2-yl]-3-nitropyridine-2,6-diamine
CID 80805005
6-chloro-N-[4-(furan-2-yl)butan-2-yl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80979448
4-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-2-methylaniline
CID 60935377
N-[3-[4-(furan-2-yl)butan-2-ylamino]-4-methylphenyl]acetamide
CID 43739655
2-(2-aminoethyl)-N-[4-(furan-2-yl)butan-2-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 50960647

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(furan-2-yl)butan-2-yl]-3-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-[4-(furan-2-yl)butan-2-yl]-3-methylpyridine-2,5-diamine (CID 55080552) is 2-N-[4-(furan-2-yl)butan-2-yl]-3-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-[4-(furan-2-yl)butan-2-yl]-3-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-[4-(furan-2-yl)butan-2-yl]-3-methylpyridine-2,5-diamine is Cc1cc(N)cnc1NC(C)CCc1ccco1.
What is the InChIKey of 2-N-[4-(furan-2-yl)butan-2-yl]-3-methylpyridine-2,5-diamine?
The InChIKey is XSIGQLALRMWTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-8-12(15)9-16-14(10)17-11(2)5-6-13-4-3-7-18-13/h3-4,7-9,11H,5-6,15H2,1-2H3,(H,16,17).
What are the key properties of 2-N-[4-(furan-2-yl)butan-2-yl]-3-methylpyridine-2,5-diamine?
2-N-[4-(furan-2-yl)butan-2-yl]-3-methylpyridine-2,5-diamine has a molecular weight of 245.33 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(furan-2-yl)butan-2-yl]-3-methylpyridine-2,5-diamine is sourced from PubChem (CID 55080552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).