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

C18H23N3 — CID 63155208

IUPAC1-pyridin-2-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine
SMILESCC(N)C(c1ccccn1)N1CCCc2ccccc2C1
InChIInChI=1S/C18H23N3/c1-14(19)18(17-10-4-5-11-20-17)21-12-6-9-15-7-2-3-8-16(15)13-21/h2-5,7-8,10-11,14,18H,6,9,12-13,19H2,1H3
InChIKeyFNWDOZVJFBOZPF-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.92
Rot. Bonds3

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

1-pyridin-2-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine (PubChem CID 63155208) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-pyridin-2-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-pyridin-2-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine
PubChem CID63155208
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name1-pyridin-2-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine
SMILESCC(N)C(c1ccccn1)N1CCCc2ccccc2C1
InChIInChI=1S/C18H23N3/c1-14(19)18(17-10-4-5-11-20-17)21-12-6-9-15-7-2-3-8-16(15)13-21/h2-5,7-8,10-11,14,18H,6,9,12-13,19H2,1H3
InChIKeyFNWDOZVJFBOZPF-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-3-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine
CID 63154944
1-pyridin-2-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
CID 114489517
1-(2-methyl-1,4-oxazepan-4-yl)-1-pyridin-2-ylpropan-2-amine
CID 55153506
1-(4-ethyl-4-methylpiperidin-1-yl)-1-pyridin-2-ylpropan-2-amine
CID 55166215
1-pyridin-2-yl-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine
CID 55217333
1-(3-propylpyrrolidin-1-yl)-1-pyridin-2-ylpropan-2-amine
CID 113417004
1-(2-amino-1-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide
CID 114081775
[4-(2-amino-1-pyridin-2-ylpropyl)morpholin-2-yl]methanol
CID 81205655
2-[1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]phenol
CID 82979640
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-pyridin-2-ylpropan-2-amine
CID 63404408
(1R,2S)-1-pyridin-2-ylpropane-1,2-diamine
CID 131142947
(3R)-3-pyridin-2-ylbutan-2-amine
CID 140704268

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine?
The IUPAC name of 1-pyridin-2-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine (CID 63155208) is 1-pyridin-2-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine.
What is the SMILES notation for 1-pyridin-2-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine?
The canonical SMILES for 1-pyridin-2-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine is CC(N)C(c1ccccn1)N1CCCc2ccccc2C1.
What is the InChIKey of 1-pyridin-2-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine?
The InChIKey is FNWDOZVJFBOZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-14(19)18(17-10-4-5-11-20-17)21-12-6-9-15-7-2-3-8-16(15)13-21/h2-5,7-8,10-11,14,18H,6,9,12-13,19H2,1H3.
What are the key properties of 1-pyridin-2-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine?
1-pyridin-2-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-2-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine is sourced from PubChem (CID 63155208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).