3-(3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepin-8-yl)propan-1-amine

C12H19N3 — CID 143997704

IUPAC3-(3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepin-8-yl)propan-1-amine
SMILESNCCCC1=CCC=C2CCCN=C2N1
InChIInChI=1S/C12H19N3/c13-8-2-7-11-6-1-4-10-5-3-9-14-12(10)15-11/h4,6H,1-3,5,7-9,13H2,(H,14,15)
InChIKeyXSAYVZPOSHHNSG-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.72
Rot. Bonds3

About 3-(3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepin-8-yl)propan-1-amine

3-(3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepin-8-yl)propan-1-amine (PubChem CID 143997704) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-(3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepin-8-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepin-8-yl)propan-1-amine
PubChem CID143997704
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name3-(3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepin-8-yl)propan-1-amine
SMILESNCCCC1=CCC=C2CCCN=C2N1
InChIInChI=1S/C12H19N3/c13-8-2-7-11-6-1-4-10-5-3-9-14-12(10)15-11/h4,6H,1-3,5,7-9,13H2,(H,14,15)
InChIKeyXSAYVZPOSHHNSG-UHFFFAOYSA-N
XLogP1.72
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepin-8-yl)propan-1-amine?
The IUPAC name of 3-(3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepin-8-yl)propan-1-amine (CID 143997704) is 3-(3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepin-8-yl)propan-1-amine.
What is the SMILES notation for 3-(3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepin-8-yl)propan-1-amine?
The canonical SMILES for 3-(3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepin-8-yl)propan-1-amine is NCCCC1=CCC=C2CCCN=C2N1.
What is the InChIKey of 3-(3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepin-8-yl)propan-1-amine?
The InChIKey is XSAYVZPOSHHNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c13-8-2-7-11-6-1-4-10-5-3-9-14-12(10)15-11/h4,6H,1-3,5,7-9,13H2,(H,14,15).
What are the key properties of 3-(3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepin-8-yl)propan-1-amine?
3-(3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepin-8-yl)propan-1-amine has a molecular weight of 205.30 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepin-8-yl)propan-1-amine is sourced from PubChem (CID 143997704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).