N,N-diethyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)pyrrolidin-3-amine

C18H29N3 — CID 103983445

IUPACN,N-diethyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)pyrrolidin-3-amine
SMILESCCN(CC)C1CCN(C2CCNCc3ccccc32)C1
InChIInChI=1S/C18H29N3/c1-3-20(4-2)16-10-12-21(14-16)18-9-11-19-13-15-7-5-6-8-17(15)18/h5-8,16,18-19H,3-4,9-14H2,1-2H3
InChIKeyBTTTWISKHGHKGD-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.64
Rot. Bonds4

About N,N-diethyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)pyrrolidin-3-amine

N,N-diethyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)pyrrolidin-3-amine (PubChem CID 103983445) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N,N-diethyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-diethyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)pyrrolidin-3-amine
PubChem CID103983445
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN,N-diethyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)pyrrolidin-3-amine
SMILESCCN(CC)C1CCN(C2CCNCc3ccccc32)C1
InChIInChI=1S/C18H29N3/c1-3-20(4-2)16-10-12-21(14-16)18-9-11-19-13-15-7-5-6-8-17(15)18/h5-8,16,18-19H,3-4,9-14H2,1-2H3
InChIKeyBTTTWISKHGHKGD-UHFFFAOYSA-N
XLogP2.64
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperidin-4-yl]methanol
CID 103983164
5-(4-propan-2-ylpiperazin-1-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 103983221
5-(4-benzylpiperazin-1-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 113361696
N-methyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperidine-4-carboxamide
CID 103983216
5-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 103983111
5-(2-ethyl-5-methylpyrrolidin-1-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 103983588
3-ethyl-4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperazine-2,6-dione
CID 103983515
1-[4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,4-diazepan-1-yl]ethanone
CID 103983370
N,N-dipropyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103983115
N'-ethyl-N,N-dimethyl-N'-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)propane-1,3-diamine
CID 102998669
4-(3-ethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 63939942
(4R)-N,N-diethyl-1,2,3,4-tetrahydroisoquinolin-4-amine
CID 9168642

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)pyrrolidin-3-amine?
The IUPAC name of N,N-diethyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)pyrrolidin-3-amine (CID 103983445) is N,N-diethyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)pyrrolidin-3-amine.
What is the SMILES notation for N,N-diethyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)pyrrolidin-3-amine?
The canonical SMILES for N,N-diethyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)pyrrolidin-3-amine is CCN(CC)C1CCN(C2CCNCc3ccccc32)C1.
What is the InChIKey of N,N-diethyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)pyrrolidin-3-amine?
The InChIKey is BTTTWISKHGHKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-3-20(4-2)16-10-12-21(14-16)18-9-11-19-13-15-7-5-6-8-17(15)18/h5-8,16,18-19H,3-4,9-14H2,1-2H3.
What are the key properties of N,N-diethyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)pyrrolidin-3-amine?
N,N-diethyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)pyrrolidin-3-amine has a molecular weight of 287.45 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)pyrrolidin-3-amine is sourced from PubChem (CID 103983445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).