5-(2-aminopropyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyridin-2-amine

C16H23N3O — CID 80633813

IUPAC5-(2-aminopropyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyridin-2-amine
SMILESCc1ccc(CN(C)c2ncc(CC(C)N)cc2C)o1
InChIInChI=1S/C16H23N3O/c1-11-7-14(8-12(2)17)9-18-16(11)19(4)10-15-6-5-13(3)20-15/h5-7,9,12H,8,10,17H2,1-4H3
InChIKeyPXNPLDMWAGSJJD-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.82
Rot. Bonds5

About 5-(2-aminopropyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyridin-2-amine

5-(2-aminopropyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyridin-2-amine (PubChem CID 80633813) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 5-(2-aminopropyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-(2-aminopropyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyridin-2-amine
PubChem CID80633813
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name5-(2-aminopropyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyridin-2-amine
SMILESCc1ccc(CN(C)c2ncc(CC(C)N)cc2C)o1
InChIInChI=1S/C16H23N3O/c1-11-7-14(8-12(2)17)9-18-16(11)19(4)10-15-6-5-13(3)20-15/h5-7,9,12H,8,10,17H2,1-4H3
InChIKeyPXNPLDMWAGSJJD-UHFFFAOYSA-N
XLogP2.82
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-(2-aminopropyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyridin-2-amine (CID 80633813) is 5-(2-aminopropyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-(2-aminopropyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-(2-aminopropyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyridin-2-amine is Cc1ccc(CN(C)c2ncc(CC(C)N)cc2C)o1.
What is the InChIKey of 5-(2-aminopropyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyridin-2-amine?
The InChIKey is PXNPLDMWAGSJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11-7-14(8-12(2)17)9-18-16(11)19(4)10-15-6-5-13(3)20-15/h5-7,9,12H,8,10,17H2,1-4H3.
What are the key properties of 5-(2-aminopropyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyridin-2-amine?
5-(2-aminopropyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyridin-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 80633813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).