N-cycloheptyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine

C17H26N2 — CID 103980640

IUPACN-cycloheptyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESc1ccc2c(c1)CNCCC2NC1CCCCCC1
InChIInChI=1S/C17H26N2/c1-2-4-9-15(8-3-1)19-17-11-12-18-13-14-7-5-6-10-16(14)17/h5-7,10,15,17-19H,1-4,8-9,11-13H2
InChIKeyDUODSDZCOBAYME-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.53
Rot. Bonds2

About N-cycloheptyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine

N-cycloheptyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (PubChem CID 103980640) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-cycloheptyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.

Molecular Properties

Compound NameN-cycloheptyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
PubChem CID103980640
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-cycloheptyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESc1ccc2c(c1)CNCCC2NC1CCCCCC1
InChIInChI=1S/C17H26N2/c1-2-4-9-15(8-3-1)19-17-11-12-18-13-14-7-5-6-10-16(14)17/h5-7,10,15,17-19H,1-4,8-9,11-13H2
InChIKeyDUODSDZCOBAYME-UHFFFAOYSA-N
XLogP3.53
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(oxan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982134
3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)cyclobutan-1-ol
CID 103982387
N-(2-methylcyclohexyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980528
N-(oxolan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982525
N-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980910
3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)azepan-2-one
CID 103981131
N-cyclohexyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43094582
N-cyclohexyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43080330
N-(2,2-dimethylcyclopropyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 113361558
N-(2,3-dimethylcyclohexyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980585
N-cyclopentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43095434
N-cyclohexyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 105488657

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The IUPAC name of N-cycloheptyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (CID 103980640) is N-cycloheptyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.
What is the SMILES notation for N-cycloheptyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The canonical SMILES for N-cycloheptyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is c1ccc2c(c1)CNCCC2NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The InChIKey is DUODSDZCOBAYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-4-9-15(8-3-1)19-17-11-12-18-13-14-7-5-6-10-16(14)17/h5-7,10,15,17-19H,1-4,8-9,11-13H2.
What are the key properties of N-cycloheptyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
N-cycloheptyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine has a molecular weight of 258.41 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is sourced from PubChem (CID 103980640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).