N,2-dimethyl-3-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)propan-1-amine

C16H26N2 — CID 24035

IUPACN,2-dimethyl-3-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)propan-1-amine
SMILESCNCC(C)CN1CCCCCc2ccccc21
InChIInChI=1S/C16H26N2/c1-14(12-17-2)13-18-11-7-3-4-8-15-9-5-6-10-16(15)18/h5-6,9-10,14,17H,3-4,7-8,11-13H2,1-2H3
InChIKeyOAQMWZHBXYUKEA-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.07
Rot. Bonds4

About N,2-dimethyl-3-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)propan-1-amine

N,2-dimethyl-3-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)propan-1-amine (PubChem CID 24035) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N,2-dimethyl-3-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-3-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)propan-1-amine
PubChem CID24035
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN,2-dimethyl-3-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)propan-1-amine
SMILESCNCC(C)CN1CCCCCc2ccccc21
InChIInChI=1S/C16H26N2/c1-14(12-17-2)13-18-11-7-3-4-8-15-9-5-6-10-16(15)18/h5-6,9-10,14,17H,3-4,7-8,11-13H2,1-2H3
InChIKeyOAQMWZHBXYUKEA-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-methyl-3-(methylamino)propyl]-4,5-dihydro-3H-2-benzazepin-1-one
CID 113422900
ethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline
CID 170597916
N'-hydroxy-2-methyl-3-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propanimidamide
CID 77069826
1-cyclopentyl-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanol
CID 104752968
3-(2,3-dihydroindol-1-yl)-2-methylpropan-1-amine
CID 43174926
4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine
CID 60840995
2-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)acetic acid
CID 119994270
1-(2,3-dihydroindol-1-yl)-3-(propan-2-ylamino)propan-2-ol
CID 43165785
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetic acid
CID 54483331
N-methyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)hexan-3-amine
CID 106799956
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanol
CID 15488047
2-(3,4-dihydro-2H-quinolin-1-yl)-N-propan-2-ylpropan-1-amine
CID 62425260

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)propan-1-amine?
The IUPAC name of N,2-dimethyl-3-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)propan-1-amine (CID 24035) is N,2-dimethyl-3-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)propan-1-amine.
What is the SMILES notation for N,2-dimethyl-3-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)propan-1-amine?
The canonical SMILES for N,2-dimethyl-3-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)propan-1-amine is CNCC(C)CN1CCCCCc2ccccc21.
What is the InChIKey of N,2-dimethyl-3-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)propan-1-amine?
The InChIKey is OAQMWZHBXYUKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-14(12-17-2)13-18-11-7-3-4-8-15-9-5-6-10-16(15)18/h5-6,9-10,14,17H,3-4,7-8,11-13H2,1-2H3.
What are the key properties of N,2-dimethyl-3-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)propan-1-amine?
N,2-dimethyl-3-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)propan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)propan-1-amine is sourced from PubChem (CID 24035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).