N-methyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)hexan-3-amine

C17H28N2 — CID 106799956

IUPACN-methyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)hexan-3-amine
SMILESCCC(CCCN1CCCCc2ccccc21)NC
InChIInChI=1S/C17H28N2/c1-3-16(18-2)11-8-14-19-13-7-6-10-15-9-4-5-12-17(15)19/h4-5,9,12,16,18H,3,6-8,10-11,13-14H2,1-2H3
InChIKeyUEETZBHJASWSKB-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.61
Rot. Bonds6

About N-methyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)hexan-3-amine

N-methyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)hexan-3-amine (PubChem CID 106799956) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-methyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)hexan-3-amine.

Molecular Properties

Compound NameN-methyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)hexan-3-amine
PubChem CID106799956
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-methyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)hexan-3-amine
SMILESCCC(CCCN1CCCCc2ccccc21)NC
InChIInChI=1S/C17H28N2/c1-3-16(18-2)11-8-14-19-13-7-6-10-15-9-4-5-12-17(15)19/h4-5,9,12,16,18H,3,6-8,10-11,13-14H2,1-2H3
InChIKeyUEETZBHJASWSKB-UHFFFAOYSA-N
XLogP3.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine
CID 60840995
1-heptyl-3,4-dihydro-2H-quinoline
CID 154324891
1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-quinoline
CID 82085595
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanol
CID 15488047
N-[3-(2,3-dihydroindol-1-yl)propyl]heptan-4-amine
CID 43111286
1-butyl-2,3-dihydroindole
CID 4167209
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]pentan-2-amine
CID 55085658
N,2-dimethyl-3-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)propan-1-amine
CID 24035
1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline
CID 59807075
2-amino-5-(3,4-dihydro-2H-quinolin-1-yl)-2-ethylpentan-1-ol
CID 106809115
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-phenylpropan-1-amine
CID 54806803
6-(3,4-dihydro-2H-quinolin-1-yl)hexan-1-amine
CID 13472128

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)hexan-3-amine?
The IUPAC name of N-methyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)hexan-3-amine (CID 106799956) is N-methyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)hexan-3-amine.
What is the SMILES notation for N-methyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)hexan-3-amine?
The canonical SMILES for N-methyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)hexan-3-amine is CCC(CCCN1CCCCc2ccccc21)NC.
What is the InChIKey of N-methyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)hexan-3-amine?
The InChIKey is UEETZBHJASWSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-16(18-2)11-8-14-19-13-7-6-10-15-9-4-5-12-17(15)19/h4-5,9,12,16,18H,3,6-8,10-11,13-14H2,1-2H3.
What are the key properties of N-methyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)hexan-3-amine?
N-methyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)hexan-3-amine has a molecular weight of 260.43 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)hexan-3-amine is sourced from PubChem (CID 106799956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).