3-N-furo[3,2-c]pyridin-4-yl-4-methylpentane-1,3-diamine

C13H19N3O — CID 106357602

IUPAC3-N-furo[3,2-c]pyridin-4-yl-4-methylpentane-1,3-diamine
SMILESCC(C)C(CCN)Nc1nccc2occc12
InChIInChI=1S/C13H19N3O/c1-9(2)11(3-6-14)16-13-10-5-8-17-12(10)4-7-15-13/h4-5,7-9,11H,3,6,14H2,1-2H3,(H,15,16)
InChIKeyIQYHYOALYDVXEQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.61
Rot. Bonds5

About 3-N-furo[3,2-c]pyridin-4-yl-4-methylpentane-1,3-diamine

3-N-furo[3,2-c]pyridin-4-yl-4-methylpentane-1,3-diamine (PubChem CID 106357602) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-N-furo[3,2-c]pyridin-4-yl-4-methylpentane-1,3-diamine.

Molecular Properties

Compound Name3-N-furo[3,2-c]pyridin-4-yl-4-methylpentane-1,3-diamine
PubChem CID106357602
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-N-furo[3,2-c]pyridin-4-yl-4-methylpentane-1,3-diamine
SMILESCC(C)C(CCN)Nc1nccc2occc12
InChIInChI=1S/C13H19N3O/c1-9(2)11(3-6-14)16-13-10-5-8-17-12(10)4-7-15-13/h4-5,7-9,11H,3,6,14H2,1-2H3,(H,15,16)
InChIKeyIQYHYOALYDVXEQ-UHFFFAOYSA-N
XLogP2.61
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-furo[3,2-c]pyridin-4-yl-4-methoxybutane-1,3-diamine
CID 106154838
3-(furo[3,2-c]pyridin-4-ylamino)butan-1-ol
CID 103703297
2-(furo[3,2-c]pyridin-4-ylamino)propan-1-ol
CID 103729109
N-(3-methylpentan-2-yl)furo[3,2-c]pyridin-4-amine
CID 103819957
N-(4-chloro-3-methylbutan-2-yl)furo[3,2-c]pyridin-4-amine
CID 106535732
(2R)-2-(furo[3,2-c]pyridin-4-ylamino)-3-methylbutanoic acid
CID 122050846
N-but-3-en-2-ylfuro[3,2-c]pyridin-4-amine
CID 103750018
N-[1-(furan-2-yl)ethyl]furo[3,2-c]pyridin-4-amine
CID 103702484
3-amino-4-(furo[3,2-c]pyridin-4-ylamino)butan-2-ol
CID 106535310
3-(furo[3,2-c]pyridin-4-ylamino)pentan-1-ol
CID 103703374
N'-furo[3,2-c]pyridin-4-ylpropane-1,3-diamine
CID 106535052
2-(furo[3,2-c]pyridin-4-ylamino)-N-methylpropanamide
CID 106535100

Frequently Asked Questions

What is the IUPAC name of 3-N-furo[3,2-c]pyridin-4-yl-4-methylpentane-1,3-diamine?
The IUPAC name of 3-N-furo[3,2-c]pyridin-4-yl-4-methylpentane-1,3-diamine (CID 106357602) is 3-N-furo[3,2-c]pyridin-4-yl-4-methylpentane-1,3-diamine.
What is the SMILES notation for 3-N-furo[3,2-c]pyridin-4-yl-4-methylpentane-1,3-diamine?
The canonical SMILES for 3-N-furo[3,2-c]pyridin-4-yl-4-methylpentane-1,3-diamine is CC(C)C(CCN)Nc1nccc2occc12.
What is the InChIKey of 3-N-furo[3,2-c]pyridin-4-yl-4-methylpentane-1,3-diamine?
The InChIKey is IQYHYOALYDVXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9(2)11(3-6-14)16-13-10-5-8-17-12(10)4-7-15-13/h4-5,7-9,11H,3,6,14H2,1-2H3,(H,15,16).
What are the key properties of 3-N-furo[3,2-c]pyridin-4-yl-4-methylpentane-1,3-diamine?
3-N-furo[3,2-c]pyridin-4-yl-4-methylpentane-1,3-diamine has a molecular weight of 233.31 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-furo[3,2-c]pyridin-4-yl-4-methylpentane-1,3-diamine is sourced from PubChem (CID 106357602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).