7,7-dimethyl-1,2,3,4-tetrahydropyrido[2,3-b]azepine

C11H16N2 — CID 143591505

IUPAC7,7-dimethyl-1,2,3,4-tetrahydropyrido[2,3-b]azepine
SMILESCC1(C)C=CC2=C(N=C1)NCCC2
InChIInChI=1S/C11H16N2/c1-11(2)6-5-9-4-3-7-12-10(9)13-8-11/h5-6,8,12H,3-4,7H2,1-2H3
InChIKeyLXKMVUIKQOCUCR-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.25
Rot. Bonds

About 7,7-dimethyl-1,2,3,4-tetrahydropyrido[2,3-b]azepine

7,7-dimethyl-1,2,3,4-tetrahydropyrido[2,3-b]azepine (PubChem CID 143591505) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 7,7-dimethyl-1,2,3,4-tetrahydropyrido[2,3-b]azepine.

Molecular Properties

Compound Name7,7-dimethyl-1,2,3,4-tetrahydropyrido[2,3-b]azepine
PubChem CID143591505
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name7,7-dimethyl-1,2,3,4-tetrahydropyrido[2,3-b]azepine
SMILESCC1(C)C=CC2=C(N=C1)NCCC2
InChIInChI=1S/C11H16N2/c1-11(2)6-5-9-4-3-7-12-10(9)13-8-11/h5-6,8,12H,3-4,7H2,1-2H3
InChIKeyLXKMVUIKQOCUCR-UHFFFAOYSA-N
XLogP2.25
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7,7-dimethyl-1,2,3,4-tetrahydropyrido[2,3-b]azepine with MolForge

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Related Compounds

N-[5-[(E)-4-methylpent-1-enyl]-1,2,3,4-tetrahydropyridin-6-yl]methanimine
CID 139448306
ethane;N-[4-methyl-5-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridin-6-yl]methanimine
CID 141921307
ethane;(Z)-N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)ethanimine;molecular hydrogen
CID 141921413
(2Z)-5-methyl-2-(4-methylcyclohepta-2,4,6-trien-1-ylidene)-5,6-dihydro-1H-pyrimidine
CID 141985331
3-ethenyl-N,6,6-trimethylazepin-2-amine
CID 143533139
7,7-Dimethyl-1,2,3,4-tetrahydropyrido[2,3-b]azepine;ethane
CID 143591504
4,4-Dimethyl-2,12-diazabicyclo[5.5.0]dodeca-1(7),2,5-triene
CID 143591519
2-(2,3,4,7-tetrahydro-1H-pyrido[2,3-b]azepin-8-yl)ethanamine
CID 143997754
N'-[(6Z,8E)-8-(2,3-dihydropyridin-5-yl)deca-6,8-dien-2-yl]methanediamine
CID 145204354
4,4,8-Trimethyl-2,12-diazabicyclo[5.5.0]dodeca-1(7),2,5-triene
CID 145493334
CID 153340914
CID 153340914
6-methyl-6-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]azepine
CID 166848138

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-1,2,3,4-tetrahydropyrido[2,3-b]azepine?
The IUPAC name of 7,7-dimethyl-1,2,3,4-tetrahydropyrido[2,3-b]azepine (CID 143591505) is 7,7-dimethyl-1,2,3,4-tetrahydropyrido[2,3-b]azepine.
What is the SMILES notation for 7,7-dimethyl-1,2,3,4-tetrahydropyrido[2,3-b]azepine?
The canonical SMILES for 7,7-dimethyl-1,2,3,4-tetrahydropyrido[2,3-b]azepine is CC1(C)C=CC2=C(N=C1)NCCC2.
What is the InChIKey of 7,7-dimethyl-1,2,3,4-tetrahydropyrido[2,3-b]azepine?
The InChIKey is LXKMVUIKQOCUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-11(2)6-5-9-4-3-7-12-10(9)13-8-11/h5-6,8,12H,3-4,7H2,1-2H3.
What are the key properties of 7,7-dimethyl-1,2,3,4-tetrahydropyrido[2,3-b]azepine?
7,7-dimethyl-1,2,3,4-tetrahydropyrido[2,3-b]azepine has a molecular weight of 176.26 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-1,2,3,4-tetrahydropyrido[2,3-b]azepine is sourced from PubChem (CID 143591505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).