N-[(1-methylpiperidin-4-yl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine

C17H27N3 — CID 103981901

IUPACN-[(1-methylpiperidin-4-yl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESCN1CCC(CNC2CCNCc3ccccc32)CC1
InChIInChI=1S/C17H27N3/c1-20-10-7-14(8-11-20)12-19-17-6-9-18-13-15-4-2-3-5-16(15)17/h2-5,14,17-19H,6-13H2,1H3
InChIKeyPVAIATDLUIGTTN-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.15
Rot. Bonds3

About N-[(1-methylpiperidin-4-yl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine

N-[(1-methylpiperidin-4-yl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (PubChem CID 103981901) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-yl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-yl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
PubChem CID103981901
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-[(1-methylpiperidin-4-yl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESCN1CCC(CNC2CCNCc3ccccc32)CC1
InChIInChI=1S/C17H27N3/c1-20-10-7-14(8-11-20)12-19-17-6-9-18-13-15-4-2-3-5-16(15)17/h2-5,14,17-19H,6-13H2,1H3
InChIKeyPVAIATDLUIGTTN-UHFFFAOYSA-N
XLogP2.15
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclobutylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980896
N-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980910
N-[2-(azepan-1-yl)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103981782
N-(2-cyclopropylethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 113361593
N-[(1-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149291
N-(2-cyclopentylethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103981580
N-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982717
N-(2-methylbutyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 113361569
N-but-3-ynyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982195
N-[(4-chlorophenyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980819
N-methyl-2-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)ethanesulfonamide
CID 106333859
N-[2-(3-methylcyclohexyl)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982202

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (CID 103981901) is N-[(1-methylpiperidin-4-yl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.
What is the SMILES notation for N-[(1-methylpiperidin-4-yl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The canonical SMILES for N-[(1-methylpiperidin-4-yl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is CN1CCC(CNC2CCNCc3ccccc32)CC1.
What is the InChIKey of N-[(1-methylpiperidin-4-yl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The InChIKey is PVAIATDLUIGTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-20-10-7-14(8-11-20)12-19-17-6-9-18-13-15-4-2-3-5-16(15)17/h2-5,14,17-19H,6-13H2,1H3.
What are the key properties of N-[(1-methylpiperidin-4-yl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
N-[(1-methylpiperidin-4-yl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine has a molecular weight of 273.42 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-4-yl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is sourced from PubChem (CID 103981901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).