N-cyclopentyl-1-(5,6-dihydro-1H-pyrrolo[2,3-b]azocin-4-yl)-N-methylpyrrolidin-3-amine

C19H28N4 — CID 123239628

IUPACN-cyclopentyl-1-(5,6-dihydro-1H-pyrrolo[2,3-b]azocin-4-yl)-N-methylpyrrolidin-3-amine
SMILESCN(C1CCCC1)C1CCN(C2=c3cc[nH]/c3=N/C=CCC2)C1
InChIInChI=1S/C19H28N4/c1-22(15-6-2-3-7-15)16-10-13-23(14-16)18-8-4-5-11-20-19-17(18)9-12-21-19/h5,9,11-12,15-16H,2-4,6-8,10,13-14H2,1H3,(H,20,21)
InChIKeyAULCESLHRGONNO-UHFFFAOYSA-N
MW312.46 g/mol
LogP2.00
Rot. Bonds3

About N-cyclopentyl-1-(5,6-dihydro-1H-pyrrolo[2,3-b]azocin-4-yl)-N-methylpyrrolidin-3-amine

N-cyclopentyl-1-(5,6-dihydro-1H-pyrrolo[2,3-b]azocin-4-yl)-N-methylpyrrolidin-3-amine (PubChem CID 123239628) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is N-cyclopentyl-1-(5,6-dihydro-1H-pyrrolo[2,3-b]azocin-4-yl)-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-cyclopentyl-1-(5,6-dihydro-1H-pyrrolo[2,3-b]azocin-4-yl)-N-methylpyrrolidin-3-amine
PubChem CID123239628
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC NameN-cyclopentyl-1-(5,6-dihydro-1H-pyrrolo[2,3-b]azocin-4-yl)-N-methylpyrrolidin-3-amine
SMILESCN(C1CCCC1)C1CCN(C2=c3cc[nH]/c3=N/C=CCC2)C1
InChIInChI=1S/C19H28N4/c1-22(15-6-2-3-7-15)16-10-13-23(14-16)18-8-4-5-11-20-19-17(18)9-12-21-19/h5,9,11-12,15-16H,2-4,6-8,10,13-14H2,1H3,(H,20,21)
InChIKeyAULCESLHRGONNO-UHFFFAOYSA-N
XLogP2.00
TPSA34.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclopentyl-1-(5,6-dihydro-1H-pyrrolo[2,3-b]azocin-4-yl)-N-methylpyrrolidin-3-amine with MolForge

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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
1-(6-ethyl-1,5-dihydropyrrolo[2,3-b]azepin-4-yl)-N-methylpyrrolidin-3-amine
CID 123677816
(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
(3E)-N-[(E)-but-1-enyl]-4-ethyl-3-[1-(3-methylpiperazin-1-yl)ethylidene]pyrrol-2-amine
CID 168184526
N-[(3E)-3-[5-(2-methylidenepyrrolidin-1-yl)heptylidene]-1H-pyrrol-2-ylidene]methanimidamide
CID 176534052

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(5,6-dihydro-1H-pyrrolo[2,3-b]azocin-4-yl)-N-methylpyrrolidin-3-amine?
The IUPAC name of N-cyclopentyl-1-(5,6-dihydro-1H-pyrrolo[2,3-b]azocin-4-yl)-N-methylpyrrolidin-3-amine (CID 123239628) is N-cyclopentyl-1-(5,6-dihydro-1H-pyrrolo[2,3-b]azocin-4-yl)-N-methylpyrrolidin-3-amine.
What is the SMILES notation for N-cyclopentyl-1-(5,6-dihydro-1H-pyrrolo[2,3-b]azocin-4-yl)-N-methylpyrrolidin-3-amine?
The canonical SMILES for N-cyclopentyl-1-(5,6-dihydro-1H-pyrrolo[2,3-b]azocin-4-yl)-N-methylpyrrolidin-3-amine is CN(C1CCCC1)C1CCN(C2=c3cc[nH]/c3=N/C=CCC2)C1.
What is the InChIKey of N-cyclopentyl-1-(5,6-dihydro-1H-pyrrolo[2,3-b]azocin-4-yl)-N-methylpyrrolidin-3-amine?
The InChIKey is AULCESLHRGONNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-22(15-6-2-3-7-15)16-10-13-23(14-16)18-8-4-5-11-20-19-17(18)9-12-21-19/h5,9,11-12,15-16H,2-4,6-8,10,13-14H2,1H3,(H,20,21).
What are the key properties of N-cyclopentyl-1-(5,6-dihydro-1H-pyrrolo[2,3-b]azocin-4-yl)-N-methylpyrrolidin-3-amine?
N-cyclopentyl-1-(5,6-dihydro-1H-pyrrolo[2,3-b]azocin-4-yl)-N-methylpyrrolidin-3-amine has a molecular weight of 312.46 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(5,6-dihydro-1H-pyrrolo[2,3-b]azocin-4-yl)-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 123239628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).