2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethanamine

C16H24N2 — CID 58277841

IUPAC2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethanamine
SMILESNCCc1ccc2c(c1)CCN(C1CCC1)CC2
InChIInChI=1S/C16H24N2/c17-9-6-13-4-5-14-7-10-18(16-2-1-3-16)11-8-15(14)12-13/h4-5,12,16H,1-3,6-11,17H2
InChIKeyXRKCYTRXNDEKPB-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.14
Rot. Bonds3

About 2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethanamine

2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethanamine (PubChem CID 58277841) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethanamine.

Molecular Properties

Compound Name2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethanamine
PubChem CID58277841
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethanamine
SMILESNCCc1ccc2c(c1)CCN(C1CCC1)CC2
InChIInChI=1S/C16H24N2/c17-9-6-13-4-5-14-7-10-18(16-2-1-3-16)11-8-15(14)12-13/h4-5,12,16H,1-3,6-11,17H2
InChIKeyXRKCYTRXNDEKPB-UHFFFAOYSA-N
XLogP2.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 61070182
2-(2,3-dihydro-1H-inden-5-yl)ethanamine;hydrochloride
CID 135381745
2-(1-cyclopentyl-2,3-dihydroindol-5-yl)ethanamine
CID 115115356
2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-methylacetonitrilium
CID 90946663
7-bromo-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine
CID 58277899
1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-pyridin-4-ylpropan-2-ol
CID 58277876
[4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 11538325
2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-morpholin-4-ylethanone
CID 58277805
3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine-7-carbonitrile
CID 67160773
6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 19914431
3-cyclopentyl-9-methyl-2,4,5,6-tetrahydro-1H-3-benzazocine;ethane
CID 143718969
1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-phenylpropan-1-one
CID 58277885

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethanamine?
The IUPAC name of 2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethanamine (CID 58277841) is 2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethanamine.
What is the SMILES notation for 2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethanamine?
The canonical SMILES for 2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethanamine is NCCc1ccc2c(c1)CCN(C1CCC1)CC2.
What is the InChIKey of 2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethanamine?
The InChIKey is XRKCYTRXNDEKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c17-9-6-13-4-5-14-7-10-18(16-2-1-3-16)11-8-15(14)12-13/h4-5,12,16H,1-3,6-11,17H2.
What are the key properties of 2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethanamine?
2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethanamine has a molecular weight of 244.38 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethanamine is sourced from PubChem (CID 58277841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).