8-methyl-1,2,3,4-tetrahydropyrido[3,2-c]azepin-8-amine

C10H15N3 — CID 142291619

IUPAC8-methyl-1,2,3,4-tetrahydropyrido[3,2-c]azepin-8-amine
SMILESCC1(N)C=NC=C2CCCNC2=C1
InChIInChI=1S/C10H15N3/c1-10(11)5-9-8(6-12-7-10)3-2-4-13-9/h5-7,13H,2-4,11H2,1H3
InChIKeyDGYBHNLSXLODSG-UHFFFAOYSA-N
MW177.25 g/mol
LogP0.94
Rot. Bonds

About 8-methyl-1,2,3,4-tetrahydropyrido[3,2-c]azepin-8-amine

8-methyl-1,2,3,4-tetrahydropyrido[3,2-c]azepin-8-amine (PubChem CID 142291619) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 8-methyl-1,2,3,4-tetrahydropyrido[3,2-c]azepin-8-amine.

Molecular Properties

Compound Name8-methyl-1,2,3,4-tetrahydropyrido[3,2-c]azepin-8-amine
PubChem CID142291619
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name8-methyl-1,2,3,4-tetrahydropyrido[3,2-c]azepin-8-amine
SMILESCC1(N)C=NC=C2CCCNC2=C1
InChIInChI=1S/C10H15N3/c1-10(11)5-9-8(6-12-7-10)3-2-4-13-9/h5-7,13H,2-4,11H2,1H3
InChIKeyDGYBHNLSXLODSG-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1,3,5,8,10,12,14-heptaen-2-amine
CID 57230838
2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine
CID 69029528
2-ethenyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine
CID 69190056
2-prop-1-en-2-yl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine
CID 69190251
(Z)-1-(3,4-dihydropyridin-5-yl)-N-methylprop-1-en-1-amine
CID 89491188
2-(2-Butan-2-ylidenepiperidin-3-ylidene)ethylidene-dimethylazanium
CID 123426179
5-methyl-2,3-dihydro-1H-pyrrolo[2,3-c]azepin-5-amine
CID 134404988
(E)-2-ethenyl-4-methylimino-N-[(E)-piperidin-2-ylidenemethyl]but-2-en-1-amine
CID 141944458
N-[(Z)-(2-methylidenepiperidin-3-ylidene)methyl]ethanimine
CID 142054800
N-[(Z)-[(2Z)-2-butan-2-ylidenepiperidin-3-ylidene]methyl]ethanimine
CID 142253748
6-Methyl-1,2,3,4-tetrahydropyrido[3,4-c]azepin-6-amine
CID 142291613
6-Methyl-1,2,3,4-tetrahydropyrido[2,3-c]azepin-6-amine
CID 142291616

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,2,3,4-tetrahydropyrido[3,2-c]azepin-8-amine?
The IUPAC name of 8-methyl-1,2,3,4-tetrahydropyrido[3,2-c]azepin-8-amine (CID 142291619) is 8-methyl-1,2,3,4-tetrahydropyrido[3,2-c]azepin-8-amine.
What is the SMILES notation for 8-methyl-1,2,3,4-tetrahydropyrido[3,2-c]azepin-8-amine?
The canonical SMILES for 8-methyl-1,2,3,4-tetrahydropyrido[3,2-c]azepin-8-amine is CC1(N)C=NC=C2CCCNC2=C1.
What is the InChIKey of 8-methyl-1,2,3,4-tetrahydropyrido[3,2-c]azepin-8-amine?
The InChIKey is DGYBHNLSXLODSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-10(11)5-9-8(6-12-7-10)3-2-4-13-9/h5-7,13H,2-4,11H2,1H3.
What are the key properties of 8-methyl-1,2,3,4-tetrahydropyrido[3,2-c]azepin-8-amine?
8-methyl-1,2,3,4-tetrahydropyrido[3,2-c]azepin-8-amine has a molecular weight of 177.25 g/mol, XLogP of 0.94, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,2,3,4-tetrahydropyrido[3,2-c]azepin-8-amine is sourced from PubChem (CID 142291619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).