1-pyridin-3-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine

C18H23N3 — CID 63154944

IUPAC1-pyridin-3-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine
SMILESCC(N)C(c1cccnc1)N1CCCc2ccccc2C1
InChIInChI=1S/C18H23N3/c1-14(19)18(16-8-4-10-20-12-16)21-11-5-9-15-6-2-3-7-17(15)13-21/h2-4,6-8,10,12,14,18H,5,9,11,13,19H2,1H3
InChIKeyKIOIEGYSZLBBRC-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.92
Rot. Bonds3

About 1-pyridin-3-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine

1-pyridin-3-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine (PubChem CID 63154944) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-pyridin-3-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-pyridin-3-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine
PubChem CID63154944
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name1-pyridin-3-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine
SMILESCC(N)C(c1cccnc1)N1CCCc2ccccc2C1
InChIInChI=1S/C18H23N3/c1-14(19)18(16-8-4-10-20-12-16)21-11-5-9-15-6-2-3-7-17(15)13-21/h2-4,6-8,10,12,14,18H,5,9,11,13,19H2,1H3
InChIKeyKIOIEGYSZLBBRC-UHFFFAOYSA-N
XLogP2.92
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyridin-2-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine
CID 63155208
1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-pyridin-3-ylpropan-2-amine
CID 55150516
3-[(1S,2R)-2-pyridin-3-yl-1,2-dipyrrolidin-1-ylethyl]pyridine
CID 11163071
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-pyridin-3-ylpropan-2-amine
CID 65319111
2-(1-pyridin-4-ylethyl)-3,4-dihydro-1H-isoquinoline
CID 119103449
pyridin-3-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79748903
2-[1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]phenol
CID 82979640
1-(4-methylazepan-1-yl)-1-pyridin-3-ylbutan-2-amine
CID 63622936
(1R)-1-pyridin-3-ylethanamine;hydrochloride
CID 53487230
2-(3-methylphenyl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine
CID 63154718
N-[(1R)-1-pyridin-3-ylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81406890
2-(3-ethylimidazol-4-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine
CID 66134503

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine?
The IUPAC name of 1-pyridin-3-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine (CID 63154944) is 1-pyridin-3-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine.
What is the SMILES notation for 1-pyridin-3-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine?
The canonical SMILES for 1-pyridin-3-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine is CC(N)C(c1cccnc1)N1CCCc2ccccc2C1.
What is the InChIKey of 1-pyridin-3-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine?
The InChIKey is KIOIEGYSZLBBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-14(19)18(16-8-4-10-20-12-16)21-11-5-9-15-6-2-3-7-17(15)13-21/h2-4,6-8,10,12,14,18H,5,9,11,13,19H2,1H3.
What are the key properties of 1-pyridin-3-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine?
1-pyridin-3-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine is sourced from PubChem (CID 63154944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).