N-ethyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-2-amine

C18H23N3 — CID 63152815

IUPACN-ethyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-2-amine
SMILESCCNc1ncccc1CN1CCCc2ccccc2C1
InChIInChI=1S/C18H23N3/c1-2-19-18-17(9-5-11-20-18)14-21-12-6-10-15-7-3-4-8-16(15)13-21/h3-5,7-9,11H,2,6,10,12-14H2,1H3,(H,19,20)
InChIKeyMFGJELPDBNRXIN-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.46
Rot. Bonds4

About N-ethyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-2-amine

N-ethyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-2-amine (PubChem CID 63152815) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-ethyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-2-amine
PubChem CID63152815
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-ethyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-2-amine
SMILESCCNc1ncccc1CN1CCCc2ccccc2C1
InChIInChI=1S/C18H23N3/c1-2-19-18-17(9-5-11-20-18)14-21-12-6-10-15-7-3-4-8-16(15)13-21/h3-5,7-9,11H,2,6,10,12-14H2,1H3,(H,19,20)
InChIKeyMFGJELPDBNRXIN-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(ethylamino)-3-pyridinyl]methyl]-1-methyl-1,4-diazepan-2-one
CID 102892610
1-[[2-(ethylamino)-3-pyridinyl]methyl]-4-methylazepan-4-ol
CID 107408556
N-propyl-3-(pyrrolidin-1-ylmethyl)pyridin-2-amine
CID 62470751
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethylpyridin-2-amine
CID 62471001
[3-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]hydrazine
CID 62471914
3-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine
CID 62470227
2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-3-amine
CID 104740064
N-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methyl]ethanamine
CID 63152821
3-[(2,2-dimethylmorpholin-4-yl)methyl]-N-ethylpyridin-2-amine
CID 62470276
1-[[2-(ethylamino)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 55075402
1-ethyl-4-[[2-(ethylamino)-3-pyridinyl]methyl]piperazine-2,3-dione
CID 62464538
3-[[2-(ethylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione
CID 62465248

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-2-amine?
The IUPAC name of N-ethyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-2-amine (CID 63152815) is N-ethyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-ethyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-ethyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-2-amine is CCNc1ncccc1CN1CCCc2ccccc2C1.
What is the InChIKey of N-ethyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-2-amine?
The InChIKey is MFGJELPDBNRXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-2-19-18-17(9-5-11-20-18)14-21-12-6-10-15-7-3-4-8-16(15)13-21/h3-5,7-9,11H,2,6,10,12-14H2,1H3,(H,19,20).
What are the key properties of N-ethyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-2-amine?
N-ethyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-2-amine has a molecular weight of 281.40 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 63152815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).