11-(3-piperidin-1-ylpropyl)-5,6-dihydrobenzo[b][1]benzazepin-2-amine

C22H29N3 — CID 89190385

IUPAC11-(3-piperidin-1-ylpropyl)-5,6-dihydrobenzo[b][1]benzazepin-2-amine
SMILESNc1ccc2c(c1)N(CCCN1CCCCC1)c1ccccc1CC2
InChIInChI=1S/C22H29N3/c23-20-12-11-19-10-9-18-7-2-3-8-21(18)25(22(19)17-20)16-6-15-24-13-4-1-5-14-24/h2-3,7-8,11-12,17H,1,4-6,9-10,13-16,23H2
InChIKeyHNKWEXDMKQFZCD-UHFFFAOYSA-N
MW335.50 g/mol
LogP4.38
Rot. Bonds4

About 11-(3-piperidin-1-ylpropyl)-5,6-dihydrobenzo[b][1]benzazepin-2-amine

11-(3-piperidin-1-ylpropyl)-5,6-dihydrobenzo[b][1]benzazepin-2-amine (PubChem CID 89190385) has the molecular formula C22H29N3 and a molecular weight of 335.50 g/mol. Its IUPAC name is 11-(3-piperidin-1-ylpropyl)-5,6-dihydrobenzo[b][1]benzazepin-2-amine.

Molecular Properties

Compound Name11-(3-piperidin-1-ylpropyl)-5,6-dihydrobenzo[b][1]benzazepin-2-amine
PubChem CID89190385
Molecular FormulaC22H29N3
Molecular Weight335.50 g/mol
Exact Mass335.24
IUPAC Name11-(3-piperidin-1-ylpropyl)-5,6-dihydrobenzo[b][1]benzazepin-2-amine
SMILESNc1ccc2c(c1)N(CCCN1CCCCC1)c1ccccc1CC2
InChIInChI=1S/C22H29N3/c23-20-12-11-19-10-9-18-7-2-3-8-21(18)25(22(19)17-20)16-6-15-24-13-4-1-5-14-24/h2-3,7-8,11-12,17H,1,4-6,9-10,13-16,23H2
InChIKeyHNKWEXDMKQFZCD-UHFFFAOYSA-N
XLogP4.38
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

11-(5-pyrrolidin-1-ylpentyl)-5,6-dihydrobenzo[b][1]benzazepine
CID 10131774
1-(2-amino-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-piperidin-1-ylpropan-1-one
CID 89190365
1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole
CID 82081939
(3R)-1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidine-3-carboxylic acid;hydrochloride
CID 70299237
1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-quinoline
CID 82085595
1-[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-3-yl]ethanone;hydrochloride
CID 159118932
10-[3-(4-methylpiperazin-1-yl)propyl]phenoxazin-3-amine
CID 70121624
2-[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-4-yl]acetic acid
CID 22998296
CID 119078430
CID 119078430
1-[2-(azepan-1-yl)ethyl]-2,3-dihydroindole
CID 54806650
3-(2-methyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-ol
CID 23287877
1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-(4-methylphenyl)piperidin-4-ol
CID 20657928

Frequently Asked Questions

What is the IUPAC name of 11-(3-piperidin-1-ylpropyl)-5,6-dihydrobenzo[b][1]benzazepin-2-amine?
The IUPAC name of 11-(3-piperidin-1-ylpropyl)-5,6-dihydrobenzo[b][1]benzazepin-2-amine (CID 89190385) is 11-(3-piperidin-1-ylpropyl)-5,6-dihydrobenzo[b][1]benzazepin-2-amine.
What is the SMILES notation for 11-(3-piperidin-1-ylpropyl)-5,6-dihydrobenzo[b][1]benzazepin-2-amine?
The canonical SMILES for 11-(3-piperidin-1-ylpropyl)-5,6-dihydrobenzo[b][1]benzazepin-2-amine is Nc1ccc2c(c1)N(CCCN1CCCCC1)c1ccccc1CC2.
What is the InChIKey of 11-(3-piperidin-1-ylpropyl)-5,6-dihydrobenzo[b][1]benzazepin-2-amine?
The InChIKey is HNKWEXDMKQFZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3/c23-20-12-11-19-10-9-18-7-2-3-8-21(18)25(22(19)17-20)16-6-15-24-13-4-1-5-14-24/h2-3,7-8,11-12,17H,1,4-6,9-10,13-16,23H2.
What are the key properties of 11-(3-piperidin-1-ylpropyl)-5,6-dihydrobenzo[b][1]benzazepin-2-amine?
11-(3-piperidin-1-ylpropyl)-5,6-dihydrobenzo[b][1]benzazepin-2-amine has a molecular weight of 335.50 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3-piperidin-1-ylpropyl)-5,6-dihydrobenzo[b][1]benzazepin-2-amine is sourced from PubChem (CID 89190385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).