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

C13H22N2 — CID 143591504

IUPAC7,7-dimethyl-1,2,3,4-tetrahydropyrido[2,3-b]azepine;ethane
SMILESCC.CC1(C)C=CC2=C(N=C1)NCCC2
InChIInChI=1S/C11H16N2.C2H6/c1-11(2)6-5-9-4-3-7-12-10(9)13-8-11;1-2/h5-6,8,12H,3-4,7H2,1-2H3;1-2H3
InChIKeyNIIAZXXKECHLSZ-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.27
Rot. Bonds

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

7,7-dimethyl-1,2,3,4-tetrahydropyrido[2,3-b]azepine;ethane (PubChem CID 143591504) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 7,7-dimethyl-1,2,3,4-tetrahydropyrido[2,3-b]azepine;ethane.

Molecular Properties

Compound Name7,7-dimethyl-1,2,3,4-tetrahydropyrido[2,3-b]azepine;ethane
PubChem CID143591504
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name7,7-dimethyl-1,2,3,4-tetrahydropyrido[2,3-b]azepine;ethane
SMILESCC.CC1(C)C=CC2=C(N=C1)NCCC2
InChIInChI=1S/C11H16N2.C2H6/c1-11(2)6-5-9-4-3-7-12-10(9)13-8-11;1-2/h5-6,8,12H,3-4,7H2,1-2H3;1-2H3
InChIKeyNIIAZXXKECHLSZ-UHFFFAOYSA-N
XLogP3.27
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
CID 143591505
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;ethane?
The IUPAC name of 7,7-dimethyl-1,2,3,4-tetrahydropyrido[2,3-b]azepine;ethane (CID 143591504) is 7,7-dimethyl-1,2,3,4-tetrahydropyrido[2,3-b]azepine;ethane.
What is the SMILES notation for 7,7-dimethyl-1,2,3,4-tetrahydropyrido[2,3-b]azepine;ethane?
The canonical SMILES for 7,7-dimethyl-1,2,3,4-tetrahydropyrido[2,3-b]azepine;ethane is CC.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;ethane?
The InChIKey is NIIAZXXKECHLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2.C2H6/c1-11(2)6-5-9-4-3-7-12-10(9)13-8-11;1-2/h5-6,8,12H,3-4,7H2,1-2H3;1-2H3.
What are the key properties of 7,7-dimethyl-1,2,3,4-tetrahydropyrido[2,3-b]azepine;ethane?
7,7-dimethyl-1,2,3,4-tetrahydropyrido[2,3-b]azepine;ethane has a molecular weight of 206.33 g/mol, XLogP of 3.27, 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;ethane is sourced from PubChem (CID 143591504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).