1-(6-ethyl-1,5-dihydropyrrolo[2,3-b]azepin-4-yl)-N-methylpyrrolidin-3-amine

C15H22N4 — CID 123677816

IUPAC1-(6-ethyl-1,5-dihydropyrrolo[2,3-b]azepin-4-yl)-N-methylpyrrolidin-3-amine
SMILESCCC1=CN=c2[nH]ccc2=C(N2CCC(NC)C2)C1
InChIInChI=1S/C15H22N4/c1-3-11-8-14(19-7-5-12(10-19)16-2)13-4-6-17-15(13)18-9-11/h4,6,9,12,16H,3,5,7-8,10H2,1-2H3,(H,17,18)
InChIKeySEVUHFGOWZPRIO-UHFFFAOYSA-N
MW258.37 g/mol
LogP0.73
Rot. Bonds3

About 1-(6-ethyl-1,5-dihydropyrrolo[2,3-b]azepin-4-yl)-N-methylpyrrolidin-3-amine

1-(6-ethyl-1,5-dihydropyrrolo[2,3-b]azepin-4-yl)-N-methylpyrrolidin-3-amine (PubChem CID 123677816) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-(6-ethyl-1,5-dihydropyrrolo[2,3-b]azepin-4-yl)-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(6-ethyl-1,5-dihydropyrrolo[2,3-b]azepin-4-yl)-N-methylpyrrolidin-3-amine
PubChem CID123677816
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name1-(6-ethyl-1,5-dihydropyrrolo[2,3-b]azepin-4-yl)-N-methylpyrrolidin-3-amine
SMILESCCC1=CN=c2[nH]ccc2=C(N2CCC(NC)C2)C1
InChIInChI=1S/C15H22N4/c1-3-11-8-14(19-7-5-12(10-19)16-2)13-4-6-17-15(13)18-9-11/h4,6,9,12,16H,3,5,7-8,10H2,1-2H3,(H,17,18)
InChIKeySEVUHFGOWZPRIO-UHFFFAOYSA-N
XLogP0.73
TPSA43.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1,1-Dimethyl-2-(1-methylpyrrolidin-2-yl)imidazol-1-ium-4-yl]-1,2,3,6-tetrahydropyridine
CID 91197302
N-cyclopentyl-1-(5,6-dihydro-1H-pyrrolo[2,3-b]azocin-4-yl)-N-methylpyrrolidin-3-amine
CID 123239628
N-methyl-1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-amine
CID 136426403
(1E,3Z,7Z)-7-(1-cyclopentyl-5-ethenyl-2-prop-1-en-2-yliminopyrrol-3-ylidene)-2-piperazin-1-ylhepta-1,3-dien-1-amine
CID 139516116
5-Methyl-2-pyrrolidin-2-yl-3,7-dihydrocyclohepta[d]imidazole
CID 144100236
Ethane;6-methyl-2-pyrrolidin-2-yl-3,8a-dihydrocyclohepta[d]imidazole
CID 144100259
6-Methyl-2-pyrrolidin-2-yl-3,8a-dihydrocyclohepta[d]imidazole
CID 144100260
ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-2-pyrrolidin-2-yl-1H-imidazole
CID 144123429
(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
CID 144123455
(4E,5E)-4-[2-(3-aminopyrrolidin-1-yl)prop-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine
CID 166548589
(3E)-N-[(E)-but-1-enyl]-4-ethyl-3-[1-(3-methylpiperazin-1-yl)ethylidene]pyrrol-2-amine
CID 168184526
(3E)-N-[(E)-but-1-enyl]-4-ethyl-3-(1-piperazin-1-ylethylidene)pyrrol-2-amine
CID 168185345

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-1,5-dihydropyrrolo[2,3-b]azepin-4-yl)-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-(6-ethyl-1,5-dihydropyrrolo[2,3-b]azepin-4-yl)-N-methylpyrrolidin-3-amine (CID 123677816) is 1-(6-ethyl-1,5-dihydropyrrolo[2,3-b]azepin-4-yl)-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-(6-ethyl-1,5-dihydropyrrolo[2,3-b]azepin-4-yl)-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-(6-ethyl-1,5-dihydropyrrolo[2,3-b]azepin-4-yl)-N-methylpyrrolidin-3-amine is CCC1=CN=c2[nH]ccc2=C(N2CCC(NC)C2)C1.
What is the InChIKey of 1-(6-ethyl-1,5-dihydropyrrolo[2,3-b]azepin-4-yl)-N-methylpyrrolidin-3-amine?
The InChIKey is SEVUHFGOWZPRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-3-11-8-14(19-7-5-12(10-19)16-2)13-4-6-17-15(13)18-9-11/h4,6,9,12,16H,3,5,7-8,10H2,1-2H3,(H,17,18).
What are the key properties of 1-(6-ethyl-1,5-dihydropyrrolo[2,3-b]azepin-4-yl)-N-methylpyrrolidin-3-amine?
1-(6-ethyl-1,5-dihydropyrrolo[2,3-b]azepin-4-yl)-N-methylpyrrolidin-3-amine has a molecular weight of 258.37 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-1,5-dihydropyrrolo[2,3-b]azepin-4-yl)-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 123677816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).