1-(6-ethyl-4,4-dimethyl-2,3,6,7-tetrahydrocyclohepta[b]pyridin-7-yl)-N-methylethanamine

C17H28N2 — CID 91470543

IUPAC1-(6-ethyl-4,4-dimethyl-2,3,6,7-tetrahydrocyclohepta[b]pyridin-7-yl)-N-methylethanamine
SMILESCCC1C=C2C(=NCCC2(C)C)C=CC1C(C)NC
InChIInChI=1S/C17H28N2/c1-6-13-11-15-16(19-10-9-17(15,3)4)8-7-14(13)12(2)18-5/h7-8,11-14,18H,6,9-10H2,1-5H3
InChIKeyJFFGJTUSRZGTLH-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.60
Rot. Bonds3

About 1-(6-ethyl-4,4-dimethyl-2,3,6,7-tetrahydrocyclohepta[b]pyridin-7-yl)-N-methylethanamine

1-(6-ethyl-4,4-dimethyl-2,3,6,7-tetrahydrocyclohepta[b]pyridin-7-yl)-N-methylethanamine (PubChem CID 91470543) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-(6-ethyl-4,4-dimethyl-2,3,6,7-tetrahydrocyclohepta[b]pyridin-7-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(6-ethyl-4,4-dimethyl-2,3,6,7-tetrahydrocyclohepta[b]pyridin-7-yl)-N-methylethanamine
PubChem CID91470543
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name1-(6-ethyl-4,4-dimethyl-2,3,6,7-tetrahydrocyclohepta[b]pyridin-7-yl)-N-methylethanamine
SMILESCCC1C=C2C(=NCCC2(C)C)C=CC1C(C)NC
InChIInChI=1S/C17H28N2/c1-6-13-11-15-16(19-10-9-17(15,3)4)8-7-14(13)12(2)18-5/h7-8,11-14,18H,6,9-10H2,1-5H3
InChIKeyJFFGJTUSRZGTLH-UHFFFAOYSA-N
XLogP3.60
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(6-ethyl-4,4-dimethyl-2,3,6,7-tetrahydrocyclohepta[b]pyridin-7-yl)-N-methylethanamine with MolForge

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Related Compounds

N-methyl-1-[6-[(Z)-3-methylidene-6-methyliminohept-4-en-2-yl]cyclohexa-1,5-dien-1-yl]ethanamine
CID 91045781
(4Z,7Z)-6-ethylimino-N,2-dimethyl-7-propan-2-ylnona-4,7-dien-1-amine
CID 123139515
N-cyclohexylbicyclo[4.1.0]hept-3-en-2-imine;N-methylpropan-2-amine
CID 143478087
(1R)-4-imino-5-methanidyl-N-methylcyclohex-2-en-1-amine
CID 143718907
3-(4,6-dimethyl-2,3-dihydropyridin-3-yl)-N-methylbutan-1-amine
CID 149363012
(5R)-5-[(Z)-1-aminobut-2-enyl]-6-ethyl-4-imino-N,5-dimethylcyclohept-2-en-1-amine
CID 173980494
dimethyl-[(4S,5S)-5-methyl-4-(propylamino)cyclohex-2-en-1-ylidene]azanium
CID 101878048
(5R,6R)-3,5,7,11,11-pentamethyl-8-azoniaspiro[5.6]dodeca-3,7-diene
CID 101952092
(5R,6R,10R,11S)-3,5,7,10,11-pentamethyl-8-azoniaspiro[5.6]dodeca-3,7-diene
CID 101952106
(2R,5R,6R)-2,5,7,11,11-pentamethyl-8-azoniaspiro[5.6]dodeca-3,7-diene
CID 101952111
N,3,3a,7-tetramethyl-2,3-dihydroindol-2-amine
CID 129929140
(1R)-4-imino-N,5-dimethylcyclohex-2-en-1-amine
CID 143718908

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-4,4-dimethyl-2,3,6,7-tetrahydrocyclohepta[b]pyridin-7-yl)-N-methylethanamine?
The IUPAC name of 1-(6-ethyl-4,4-dimethyl-2,3,6,7-tetrahydrocyclohepta[b]pyridin-7-yl)-N-methylethanamine (CID 91470543) is 1-(6-ethyl-4,4-dimethyl-2,3,6,7-tetrahydrocyclohepta[b]pyridin-7-yl)-N-methylethanamine.
What is the SMILES notation for 1-(6-ethyl-4,4-dimethyl-2,3,6,7-tetrahydrocyclohepta[b]pyridin-7-yl)-N-methylethanamine?
The canonical SMILES for 1-(6-ethyl-4,4-dimethyl-2,3,6,7-tetrahydrocyclohepta[b]pyridin-7-yl)-N-methylethanamine is CCC1C=C2C(=NCCC2(C)C)C=CC1C(C)NC.
What is the InChIKey of 1-(6-ethyl-4,4-dimethyl-2,3,6,7-tetrahydrocyclohepta[b]pyridin-7-yl)-N-methylethanamine?
The InChIKey is JFFGJTUSRZGTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-6-13-11-15-16(19-10-9-17(15,3)4)8-7-14(13)12(2)18-5/h7-8,11-14,18H,6,9-10H2,1-5H3.
What are the key properties of 1-(6-ethyl-4,4-dimethyl-2,3,6,7-tetrahydrocyclohepta[b]pyridin-7-yl)-N-methylethanamine?
1-(6-ethyl-4,4-dimethyl-2,3,6,7-tetrahydrocyclohepta[b]pyridin-7-yl)-N-methylethanamine has a molecular weight of 260.42 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-4,4-dimethyl-2,3,6,7-tetrahydrocyclohepta[b]pyridin-7-yl)-N-methylethanamine is sourced from PubChem (CID 91470543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).