1-ethyl-2,3,4,4a-tetrahydropyrido[2,3-b]azepine

C11H16N2 — CID 10397320

IUPAC1-ethyl-2,3,4,4a-tetrahydropyrido[2,3-b]azepine
SMILESCCN1CCCC2C=CC=CN=C21
InChIInChI=1S/C11H16N2/c1-2-13-9-5-7-10-6-3-4-8-12-11(10)13/h3-4,6,8,10H,2,5,7,9H2,1H3
InChIKeyLAMHAMPVNYEVFT-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.20
Rot. Bonds1

About 1-ethyl-2,3,4,4a-tetrahydropyrido[2,3-b]azepine

1-ethyl-2,3,4,4a-tetrahydropyrido[2,3-b]azepine (PubChem CID 10397320) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-ethyl-2,3,4,4a-tetrahydropyrido[2,3-b]azepine.

Molecular Properties

Compound Name1-ethyl-2,3,4,4a-tetrahydropyrido[2,3-b]azepine
PubChem CID10397320
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-ethyl-2,3,4,4a-tetrahydropyrido[2,3-b]azepine
SMILESCCN1CCCC2C=CC=CN=C21
InChIInChI=1S/C11H16N2/c1-2-13-9-5-7-10-6-3-4-8-12-11(10)13/h3-4,6,8,10H,2,5,7,9H2,1H3
InChIKeyLAMHAMPVNYEVFT-UHFFFAOYSA-N
XLogP2.20
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(tert-butyl)-N,N-diethyl-3H-azepin-2-amine
CID 4192093
N,N-diethyl-3-methyl-3H-azepin-2-amine
CID 12218544
N,N-diethyl-3,4-dimethyl-3H-azepin-2-amine
CID 85790493
N,N,3-triethyl-3H-azepin-2-amine
CID 85790497
N,N-diethyl-3-propan-2-yl-3H-azepin-2-amine
CID 85790498
N,N-diethyl-6,7,8,8a-tetrahydrocyclopenta[c]azepin-1-amine
CID 85844536
N,N-diethyl-5-(piperidin-4-yl)-3H-azepin-2-amine
CID 172418747
2-(Piperidin-1-yl)-3H-azepine
CID 14115561
N,N-diethyl-5-propan-2-yl-3H-azepin-2-amine
CID 68476906
5-Methyl-2-(4-methylpiperazin-1-yl)-3,4-dihydroazocine
CID 91415042
N-ethyl-N,3-dimethyl-4,5-dihydro-3H-azepin-2-amine
CID 91491983
(E,2E)-N-ethenyl-2-ethylidene-1-[(2S)-2-methylpiperidin-1-yl]-3-propan-2-ylhex-3-en-1-imine
CID 126516250

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3,4,4a-tetrahydropyrido[2,3-b]azepine?
The IUPAC name of 1-ethyl-2,3,4,4a-tetrahydropyrido[2,3-b]azepine (CID 10397320) is 1-ethyl-2,3,4,4a-tetrahydropyrido[2,3-b]azepine.
What is the SMILES notation for 1-ethyl-2,3,4,4a-tetrahydropyrido[2,3-b]azepine?
The canonical SMILES for 1-ethyl-2,3,4,4a-tetrahydropyrido[2,3-b]azepine is CCN1CCCC2C=CC=CN=C21.
What is the InChIKey of 1-ethyl-2,3,4,4a-tetrahydropyrido[2,3-b]azepine?
The InChIKey is LAMHAMPVNYEVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-2-13-9-5-7-10-6-3-4-8-12-11(10)13/h3-4,6,8,10H,2,5,7,9H2,1H3.
What are the key properties of 1-ethyl-2,3,4,4a-tetrahydropyrido[2,3-b]azepine?
1-ethyl-2,3,4,4a-tetrahydropyrido[2,3-b]azepine has a molecular weight of 176.26 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3,4,4a-tetrahydropyrido[2,3-b]azepine is sourced from PubChem (CID 10397320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).