6-methyl-1,2,3,4-tetrahydropyrido[3,4-c]azepin-6-amine

C10H15N3 — CID 142291613

IUPAC6-methyl-1,2,3,4-tetrahydropyrido[3,4-c]azepin-6-amine
SMILESCC1(N)C=NC=C2CNCCC2=C1
InChIInChI=1S/C10H15N3/c1-10(11)4-8-2-3-12-5-9(8)6-13-7-10/h4,6-7,12H,2-3,5,11H2,1H3
InChIKeyDVUBDUDKFBHYTD-UHFFFAOYSA-N
MW177.25 g/mol
LogP0.59
Rot. Bonds

About 6-methyl-1,2,3,4-tetrahydropyrido[3,4-c]azepin-6-amine

6-methyl-1,2,3,4-tetrahydropyrido[3,4-c]azepin-6-amine (PubChem CID 142291613) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 6-methyl-1,2,3,4-tetrahydropyrido[3,4-c]azepin-6-amine.

Molecular Properties

Compound Name6-methyl-1,2,3,4-tetrahydropyrido[3,4-c]azepin-6-amine
PubChem CID142291613
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name6-methyl-1,2,3,4-tetrahydropyrido[3,4-c]azepin-6-amine
SMILESCC1(N)C=NC=C2CNCCC2=C1
InChIInChI=1S/C10H15N3/c1-10(11)4-8-2-3-12-5-9(8)6-13-7-10/h4,6-7,12H,2-3,5,11H2,1H3
InChIKeyDVUBDUDKFBHYTD-UHFFFAOYSA-N
XLogP0.59
TPSA50.41 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 ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,2,3,4-tetrahydropyrido[3,4-c]azepin-6-amine?
The IUPAC name of 6-methyl-1,2,3,4-tetrahydropyrido[3,4-c]azepin-6-amine (CID 142291613) is 6-methyl-1,2,3,4-tetrahydropyrido[3,4-c]azepin-6-amine.
What is the SMILES notation for 6-methyl-1,2,3,4-tetrahydropyrido[3,4-c]azepin-6-amine?
The canonical SMILES for 6-methyl-1,2,3,4-tetrahydropyrido[3,4-c]azepin-6-amine is CC1(N)C=NC=C2CNCCC2=C1.
What is the InChIKey of 6-methyl-1,2,3,4-tetrahydropyrido[3,4-c]azepin-6-amine?
The InChIKey is DVUBDUDKFBHYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-10(11)4-8-2-3-12-5-9(8)6-13-7-10/h4,6-7,12H,2-3,5,11H2,1H3.
What are the key properties of 6-methyl-1,2,3,4-tetrahydropyrido[3,4-c]azepin-6-amine?
6-methyl-1,2,3,4-tetrahydropyrido[3,4-c]azepin-6-amine has a molecular weight of 177.25 g/mol, XLogP of 0.59, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,2,3,4-tetrahydropyrido[3,4-c]azepin-6-amine is sourced from PubChem (CID 142291613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).