8-methyl-4-propan-2-yl-3,4,8,9-tetrahydro-2H-pyrido[2,3-b]azepine;molecular hydrogen

C13H22N2 — CID 157035296

IUPAC8-methyl-4-propan-2-yl-3,4,8,9-tetrahydro-2H-pyrido[2,3-b]azepine;molecular hydrogen
SMILESCC1C=CC=C2C(=NCCC2C(C)C)N1.[H][H]
InChIInChI=1S/C13H20N2.H2/c1-9(2)11-7-8-14-13-12(11)6-4-5-10(3)15-13;/h4-6,9-11H,7-8H2,1-3H3,(H,14,15);1H
InChIKeyXQHZUNGJZZJTPH-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.78
Rot. Bonds1

About 8-methyl-4-propan-2-yl-3,4,8,9-tetrahydro-2H-pyrido[2,3-b]azepine;molecular hydrogen

8-methyl-4-propan-2-yl-3,4,8,9-tetrahydro-2H-pyrido[2,3-b]azepine;molecular hydrogen (PubChem CID 157035296) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 8-methyl-4-propan-2-yl-3,4,8,9-tetrahydro-2H-pyrido[2,3-b]azepine;molecular hydrogen.

Molecular Properties

Compound Name8-methyl-4-propan-2-yl-3,4,8,9-tetrahydro-2H-pyrido[2,3-b]azepine;molecular hydrogen
PubChem CID157035296
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name8-methyl-4-propan-2-yl-3,4,8,9-tetrahydro-2H-pyrido[2,3-b]azepine;molecular hydrogen
SMILESCC1C=CC=C2C(=NCCC2C(C)C)N1.[H][H]
InChIInChI=1S/C13H20N2.H2/c1-9(2)11-7-8-14-13-12(11)6-4-5-10(3)15-13;/h4-6,9-11H,7-8H2,1-3H3,(H,14,15);1H
InChIKeyXQHZUNGJZZJTPH-UHFFFAOYSA-N
XLogP2.78
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-methyl-4-propan-2-yl-3,4,8,9-tetrahydro-2H-pyrido[2,3-b]azepine;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(6R)-4-chloro-2,6-dimethylcyclohepta-2,4-dien-1-yl]-6-ethenyl-5-fluoro-1,4,5,6-tetrahydropyrimidine
CID 124128088
2-(Piperidin-3-ylmethyl)-1,2,6,7-tetrahydro-1,8-naphthyridine
CID 70126912
2-(4-methylpentyl)-3a,9,9a,9b-tetrahydro-1H-perimidine
CID 89636915
2-ethyl-3a,9,9a,9b-tetrahydro-1H-perimidine
CID 89637067
7-ethyl-2,3,4,8-tetrahydro-1H-pyrido[2,3-b]azepine
CID 91251223
N-(4-aminocyclohexyl)-N'-methyl-2-methylidenehex-3-enimidamide
CID 123507286
5-methyl-N-(4-methylhex-1-en-3-yl)-2-azabicyclo[4.1.0]hepta-2,4-dien-3-amine
CID 123861376
N'-butyl-6-methyl-N-propan-2-ylcyclohexa-1,3-diene-1-carboximidamide
CID 124013843
3-but-1-en-2-yl-N-propan-2-yl-5,6-dihydro-2H-azepin-7-amine
CID 129082407
N',2-dimethyl-N-propan-2-ylcyclohexa-1,5-diene-1-carboximidamide
CID 130220199
(Z,7E)-N,5-dimethyl-7-[(5Z)-9-methyl-2-(3-methylpentyl)-1,4,8,9-tetrahydro-1,3-diazonin-7-ylidene]hept-3-en-1-amine
CID 134270603
(2Z)-N'-methyl-N-(piperidin-3-ylmethyl)-3-propan-2-ylpenta-2,4-dienimidamide
CID 139435348

Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-propan-2-yl-3,4,8,9-tetrahydro-2H-pyrido[2,3-b]azepine;molecular hydrogen?
The IUPAC name of 8-methyl-4-propan-2-yl-3,4,8,9-tetrahydro-2H-pyrido[2,3-b]azepine;molecular hydrogen (CID 157035296) is 8-methyl-4-propan-2-yl-3,4,8,9-tetrahydro-2H-pyrido[2,3-b]azepine;molecular hydrogen.
What is the SMILES notation for 8-methyl-4-propan-2-yl-3,4,8,9-tetrahydro-2H-pyrido[2,3-b]azepine;molecular hydrogen?
The canonical SMILES for 8-methyl-4-propan-2-yl-3,4,8,9-tetrahydro-2H-pyrido[2,3-b]azepine;molecular hydrogen is CC1C=CC=C2C(=NCCC2C(C)C)N1.[H][H].
What is the InChIKey of 8-methyl-4-propan-2-yl-3,4,8,9-tetrahydro-2H-pyrido[2,3-b]azepine;molecular hydrogen?
The InChIKey is XQHZUNGJZZJTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2.H2/c1-9(2)11-7-8-14-13-12(11)6-4-5-10(3)15-13;/h4-6,9-11H,7-8H2,1-3H3,(H,14,15);1H.
What are the key properties of 8-methyl-4-propan-2-yl-3,4,8,9-tetrahydro-2H-pyrido[2,3-b]azepine;molecular hydrogen?
8-methyl-4-propan-2-yl-3,4,8,9-tetrahydro-2H-pyrido[2,3-b]azepine;molecular hydrogen has a molecular weight of 206.33 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-propan-2-yl-3,4,8,9-tetrahydro-2H-pyrido[2,3-b]azepine;molecular hydrogen is sourced from PubChem (CID 157035296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).