2-ethyl-3,5-dimethyl-4a,5-dihydro-4H-pyrido[3,2-c]azepin-9-amine

C13H19N3 — CID 163602108

IUPAC2-ethyl-3,5-dimethyl-4a,5-dihydro-4H-pyrido[3,2-c]azepin-9-amine
SMILESCCC1=C(C)CC2C(=N1)C(N)=CC=NC2C
InChIInChI=1S/C13H19N3/c1-4-12-8(2)7-10-9(3)15-6-5-11(14)13(10)16-12/h5-6,9-10H,4,7,14H2,1-3H3
InChIKeyGYNTVLHQOZNNPV-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.45
Rot. Bonds1

About 2-ethyl-3,5-dimethyl-4a,5-dihydro-4H-pyrido[3,2-c]azepin-9-amine

2-ethyl-3,5-dimethyl-4a,5-dihydro-4H-pyrido[3,2-c]azepin-9-amine (PubChem CID 163602108) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2-ethyl-3,5-dimethyl-4a,5-dihydro-4H-pyrido[3,2-c]azepin-9-amine.

Molecular Properties

Compound Name2-ethyl-3,5-dimethyl-4a,5-dihydro-4H-pyrido[3,2-c]azepin-9-amine
PubChem CID163602108
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2-ethyl-3,5-dimethyl-4a,5-dihydro-4H-pyrido[3,2-c]azepin-9-amine
SMILESCCC1=C(C)CC2C(=N1)C(N)=CC=NC2C
InChIInChI=1S/C13H19N3/c1-4-12-8(2)7-10-9(3)15-6-5-11(14)13(10)16-12/h5-6,9-10H,4,7,14H2,1-3H3
InChIKeyGYNTVLHQOZNNPV-UHFFFAOYSA-N
XLogP2.45
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-butan-2-yl-2,3-dihydropyridin-5-yl)propan-1-imine
CID 91176798
10-Methyl-2,3,7,8,9,10-hexahydropyrido[3,2-b]azocine
CID 91242003
(7-butan-2-yl-8H-cyclohepta[b]pyridin-4-yl)methanamine
CID 91524962
3-Ethyl-6,7-dimethyl-3,4-dihydroazepin-5-imine
CID 123161081
6-Ethyl-4-ethylimino-1-methyliminonon-2-en-3-amine
CID 123490439
6-(3-Methyl-2,3,4,5-tetrahydropyridin-6-yl)-3,4-dihydropyridine
CID 123650245
4-(3-Methylhexan-2-ylidene)-2,3-dihydropyridin-5-imine
CID 123823045
3-propan-2-yl-3aH-pyrazolo[4,3-b]pyridin-7-amine
CID 141687639
ethane;(2E)-N-methyl-4-propan-2-yl-2-propylidenepyridin-3-imine
CID 142610613
(3E)-7-ethyl-4-(ethylideneamino)-2-imino-6-methylnona-3,7,8-trien-3-amine
CID 146367196
(2E)-4-butan-2-yl-2-(2,2-dimethylpropylidene)-N-ethylpyridin-3-imine
CID 153570640
8,8-Dimethyl-4-propan-2-ylpyrido[3,2-b]azepine
CID 155719633

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,5-dimethyl-4a,5-dihydro-4H-pyrido[3,2-c]azepin-9-amine?
The IUPAC name of 2-ethyl-3,5-dimethyl-4a,5-dihydro-4H-pyrido[3,2-c]azepin-9-amine (CID 163602108) is 2-ethyl-3,5-dimethyl-4a,5-dihydro-4H-pyrido[3,2-c]azepin-9-amine.
What is the SMILES notation for 2-ethyl-3,5-dimethyl-4a,5-dihydro-4H-pyrido[3,2-c]azepin-9-amine?
The canonical SMILES for 2-ethyl-3,5-dimethyl-4a,5-dihydro-4H-pyrido[3,2-c]azepin-9-amine is CCC1=C(C)CC2C(=N1)C(N)=CC=NC2C.
What is the InChIKey of 2-ethyl-3,5-dimethyl-4a,5-dihydro-4H-pyrido[3,2-c]azepin-9-amine?
The InChIKey is GYNTVLHQOZNNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-4-12-8(2)7-10-9(3)15-6-5-11(14)13(10)16-12/h5-6,9-10H,4,7,14H2,1-3H3.
What are the key properties of 2-ethyl-3,5-dimethyl-4a,5-dihydro-4H-pyrido[3,2-c]azepin-9-amine?
2-ethyl-3,5-dimethyl-4a,5-dihydro-4H-pyrido[3,2-c]azepin-9-amine has a molecular weight of 217.32 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,5-dimethyl-4a,5-dihydro-4H-pyrido[3,2-c]azepin-9-amine is sourced from PubChem (CID 163602108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).