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

C12H17N3O2 — CID 106154838

IUPAC3-N-furo[3,2-c]pyridin-4-yl-4-methoxybutane-1,3-diamine
SMILESCOCC(CCN)Nc1nccc2occc12
InChIInChI=1S/C12H17N3O2/c1-16-8-9(2-5-13)15-12-10-4-7-17-11(10)3-6-14-12/h3-4,6-7,9H,2,5,8,13H2,1H3,(H,14,15)
InChIKeyAWSYAXUYSFFBFK-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.60
Rot. Bonds6

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

3-N-furo[3,2-c]pyridin-4-yl-4-methoxybutane-1,3-diamine (PubChem CID 106154838) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-N-furo[3,2-c]pyridin-4-yl-4-methoxybutane-1,3-diamine.

Molecular Properties

Compound Name3-N-furo[3,2-c]pyridin-4-yl-4-methoxybutane-1,3-diamine
PubChem CID106154838
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-N-furo[3,2-c]pyridin-4-yl-4-methoxybutane-1,3-diamine
SMILESCOCC(CCN)Nc1nccc2occc12
InChIInChI=1S/C12H17N3O2/c1-16-8-9(2-5-13)15-12-10-4-7-17-11(10)3-6-14-12/h3-4,6-7,9H,2,5,8,13H2,1H3,(H,14,15)
InChIKeyAWSYAXUYSFFBFK-UHFFFAOYSA-N
XLogP1.60
TPSA73.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-furo[3,2-c]pyridin-4-yl-4-methylpentane-1,3-diamine
CID 106357602
3-(furo[3,2-c]pyridin-4-ylamino)pentan-1-ol
CID 103703374
N-(2-methoxyethyl)furo[3,2-c]pyridin-4-amine
CID 90356822
N-(3-methylpentan-2-yl)furo[3,2-c]pyridin-4-amine
CID 103819957
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-[2-(2-aminoethoxy)ethyl]furo[3,2-c]pyridin-4-amine
CID 106535766
2-furo[3,2-c]pyridin-4-yloxyethanamine
CID 106535541
N-[1-(4-methylphenoxy)propan-2-yl]furo[3,2-c]pyridin-4-amine
CID 103911732
N'-furo[3,2-c]pyridin-4-ylpropane-1,3-diamine
CID 106535052
N-(4-chloro-3-methylbutan-2-yl)furo[3,2-c]pyridin-4-amine
CID 106535732
N-but-3-en-2-ylfuro[3,2-c]pyridin-4-amine
CID 103750018

Frequently Asked Questions

What is the IUPAC name of 3-N-furo[3,2-c]pyridin-4-yl-4-methoxybutane-1,3-diamine?
The IUPAC name of 3-N-furo[3,2-c]pyridin-4-yl-4-methoxybutane-1,3-diamine (CID 106154838) is 3-N-furo[3,2-c]pyridin-4-yl-4-methoxybutane-1,3-diamine.
What is the SMILES notation for 3-N-furo[3,2-c]pyridin-4-yl-4-methoxybutane-1,3-diamine?
The canonical SMILES for 3-N-furo[3,2-c]pyridin-4-yl-4-methoxybutane-1,3-diamine is COCC(CCN)Nc1nccc2occc12.
What is the InChIKey of 3-N-furo[3,2-c]pyridin-4-yl-4-methoxybutane-1,3-diamine?
The InChIKey is AWSYAXUYSFFBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-16-8-9(2-5-13)15-12-10-4-7-17-11(10)3-6-14-12/h3-4,6-7,9H,2,5,8,13H2,1H3,(H,14,15).
What are the key properties of 3-N-furo[3,2-c]pyridin-4-yl-4-methoxybutane-1,3-diamine?
3-N-furo[3,2-c]pyridin-4-yl-4-methoxybutane-1,3-diamine has a molecular weight of 235.29 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-furo[3,2-c]pyridin-4-yl-4-methoxybutane-1,3-diamine is sourced from PubChem (CID 106154838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).