5-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-3-amine

C10H15N3 — CID 23654007

IUPAC5-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-3-amine
SMILESCC1CNCCc2ncc(N)cc21
InChIInChI=1S/C10H15N3/c1-7-5-12-3-2-10-9(7)4-8(11)6-13-10/h4,6-7,12H,2-3,5,11H2,1H3
InChIKeyHYFPDNMTVCHOBO-UHFFFAOYSA-N
MW177.25 g/mol
LogP0.91
Rot. Bonds

About 5-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-3-amine

5-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-3-amine (PubChem CID 23654007) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 5-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-3-amine.

Molecular Properties

Compound Name5-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-3-amine
PubChem CID23654007
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name5-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-3-amine
SMILESCC1CNCCc2ncc(N)cc21
InChIInChI=1S/C10H15N3/c1-7-5-12-3-2-10-9(7)4-8(11)6-13-10/h4,6-7,12H,2-3,5,11H2,1H3
InChIKeyHYFPDNMTVCHOBO-UHFFFAOYSA-N
XLogP0.91
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-3-amine?
The IUPAC name of 5-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-3-amine (CID 23654007) is 5-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-3-amine.
What is the SMILES notation for 5-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-3-amine?
The canonical SMILES for 5-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-3-amine is CC1CNCCc2ncc(N)cc21.
What is the InChIKey of 5-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-3-amine?
The InChIKey is HYFPDNMTVCHOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-7-5-12-3-2-10-9(7)4-8(11)6-13-10/h4,6-7,12H,2-3,5,11H2,1H3.
What are the key properties of 5-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-3-amine?
5-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-3-amine has a molecular weight of 177.25 g/mol, XLogP of 0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-3-amine is sourced from PubChem (CID 23654007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).