N-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methyl]ethanamine

C18H23N3 — CID 63152821

IUPACN-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccnc1N1CCCc2ccccc2C1
InChIInChI=1S/C18H23N3/c1-2-19-13-16-9-5-11-20-18(16)21-12-6-10-15-7-3-4-8-17(15)14-21/h3-5,7-9,11,19H,2,6,10,12-14H2,1H3
InChIKeyFRKYXGMZMDROPW-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.14
Rot. Bonds4

About N-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methyl]ethanamine

N-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methyl]ethanamine (PubChem CID 63152821) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methyl]ethanamine
PubChem CID63152821
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccnc1N1CCCc2ccccc2C1
InChIInChI=1S/C18H23N3/c1-2-19-13-16-9-5-11-20-18(16)21-12-6-10-15-7-3-4-8-17(15)14-21/h3-5,7-9,11,19H,2,6,10,12-14H2,1H3
InChIKeyFRKYXGMZMDROPW-UHFFFAOYSA-N
XLogP3.14
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-2-amine
CID 56745376
N-[[2-(4-propylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 62284695
2-[3-(bromomethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline
CID 114056909
N-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 62279125
(1R)-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-2,2-diethylcyclopropane-1-carboxamide
CID 95219729
N-ethyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-2-amine
CID 63152815
N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]ethanamine
CID 81248813
N-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]methyl]ethanamine
CID 79170955
6-cyclopropyl-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-4-amine
CID 56749686
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62286453
N-methyl-1-[5-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methanamine
CID 80637891
N,5-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine
CID 80830675

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methyl]ethanamine (CID 63152821) is N-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methyl]ethanamine is CCNCc1cccnc1N1CCCc2ccccc2C1.
What is the InChIKey of N-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methyl]ethanamine?
The InChIKey is FRKYXGMZMDROPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-2-19-13-16-9-5-11-20-18(16)21-12-6-10-15-7-3-4-8-17(15)14-21/h3-5,7-9,11,19H,2,6,10,12-14H2,1H3.
What are the key properties of N-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methyl]ethanamine?
N-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methyl]ethanamine has a molecular weight of 281.40 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 63152821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).