1-ethyl-4-methyl-2,3,3a,5,6,7,8,8a-octahydropyrrolo[2,3-c]azepin-4-amine

C11H23N3 — CID 144812875

IUPAC1-ethyl-4-methyl-2,3,3a,5,6,7,8,8a-octahydropyrrolo[2,3-c]azepin-4-amine
SMILESCCN1CCC2C1CNCCC2(C)N
InChIInChI=1S/C11H23N3/c1-3-14-7-4-9-10(14)8-13-6-5-11(9,2)12/h9-10,13H,3-8,12H2,1-2H3
InChIKeyPICNESOGEVDWDF-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.41
Rot. Bonds1

About 1-ethyl-4-methyl-2,3,3a,5,6,7,8,8a-octahydropyrrolo[2,3-c]azepin-4-amine

1-ethyl-4-methyl-2,3,3a,5,6,7,8,8a-octahydropyrrolo[2,3-c]azepin-4-amine (PubChem CID 144812875) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 1-ethyl-4-methyl-2,3,3a,5,6,7,8,8a-octahydropyrrolo[2,3-c]azepin-4-amine.

Molecular Properties

Compound Name1-ethyl-4-methyl-2,3,3a,5,6,7,8,8a-octahydropyrrolo[2,3-c]azepin-4-amine
PubChem CID144812875
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name1-ethyl-4-methyl-2,3,3a,5,6,7,8,8a-octahydropyrrolo[2,3-c]azepin-4-amine
SMILESCCN1CCC2C1CNCCC2(C)N
InChIInChI=1S/C11H23N3/c1-3-14-7-4-9-10(14)8-13-6-5-11(9,2)12/h9-10,13H,3-8,12H2,1-2H3
InChIKeyPICNESOGEVDWDF-UHFFFAOYSA-N
XLogP0.41
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-4-methyl-2,3,3a,5,6,7,8,8a-octahydropyrrolo[2,3-c]azepin-4-amine with MolForge

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Related Compounds

(3R,4R)-4-amino-4-methylpiperidin-3-ol
CID 118248932
2,6-diethyl-2,6-diazabicyclo[3.2.0]heptane
CID 155044597
1-ethylpiperazin-2-amine;hydrazine
CID 121344900
2-(4-aminopiperidin-2-yl)-1-ethylpiperidin-4-amine
CID 155173594
[(2S)-1-ethylpiperazin-2-yl]methanamine
CID 178078996
11-cyclopentyl-3-ethyl-3,9-diazaspiro[5.5]undecane
CID 112570790
ethane;(2S)-1-ethyl-2-methylpiperazine
CID 154651366
1-(1-ethylpiperazin-2-yl)ethanone
CID 173048643
(2R)-2-tert-butyl-1-ethyl-1,4-diazepane
CID 176994090
(2S)-1-ethyl-2-methyl-1,4-diazepane
CID 92784931
1-ethyl-2-piperidin-4-ylazepane
CID 64852207
1-ethylspiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,4'-piperidine]
CID 167994789

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methyl-2,3,3a,5,6,7,8,8a-octahydropyrrolo[2,3-c]azepin-4-amine?
The IUPAC name of 1-ethyl-4-methyl-2,3,3a,5,6,7,8,8a-octahydropyrrolo[2,3-c]azepin-4-amine (CID 144812875) is 1-ethyl-4-methyl-2,3,3a,5,6,7,8,8a-octahydropyrrolo[2,3-c]azepin-4-amine.
What is the SMILES notation for 1-ethyl-4-methyl-2,3,3a,5,6,7,8,8a-octahydropyrrolo[2,3-c]azepin-4-amine?
The canonical SMILES for 1-ethyl-4-methyl-2,3,3a,5,6,7,8,8a-octahydropyrrolo[2,3-c]azepin-4-amine is CCN1CCC2C1CNCCC2(C)N.
What is the InChIKey of 1-ethyl-4-methyl-2,3,3a,5,6,7,8,8a-octahydropyrrolo[2,3-c]azepin-4-amine?
The InChIKey is PICNESOGEVDWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-3-14-7-4-9-10(14)8-13-6-5-11(9,2)12/h9-10,13H,3-8,12H2,1-2H3.
What are the key properties of 1-ethyl-4-methyl-2,3,3a,5,6,7,8,8a-octahydropyrrolo[2,3-c]azepin-4-amine?
1-ethyl-4-methyl-2,3,3a,5,6,7,8,8a-octahydropyrrolo[2,3-c]azepin-4-amine has a molecular weight of 197.33 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methyl-2,3,3a,5,6,7,8,8a-octahydropyrrolo[2,3-c]azepin-4-amine is sourced from PubChem (CID 144812875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).