N-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine

C17H26N2 — CID 103980910

IUPACN-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESc1ccc2c(c1)CNCCC2NCC1CCCCC1
InChIInChI=1S/C17H26N2/c1-2-6-14(7-3-1)12-19-17-10-11-18-13-15-8-4-5-9-16(15)17/h4-5,8-9,14,17-19H,1-3,6-7,10-13H2
InChIKeyHAUFRAXSPCBDOP-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.39
Rot. Bonds3

About N-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine

N-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (PubChem CID 103980910) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
PubChem CID103980910
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESc1ccc2c(c1)CNCCC2NCC1CCCCC1
InChIInChI=1S/C17H26N2/c1-2-6-14(7-3-1)12-19-17-10-11-18-13-15-8-4-5-9-16(15)17/h4-5,8-9,14,17-19H,1-3,6-7,10-13H2
InChIKeyHAUFRAXSPCBDOP-UHFFFAOYSA-N
XLogP3.39
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The IUPAC name of N-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (CID 103980910) is N-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The canonical SMILES for N-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is c1ccc2c(c1)CNCCC2NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The InChIKey is HAUFRAXSPCBDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-6-14(7-3-1)12-19-17-10-11-18-13-15-8-4-5-9-16(15)17/h4-5,8-9,14,17-19H,1-3,6-7,10-13H2.
What are the key properties of N-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
N-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine has a molecular weight of 258.41 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is sourced from PubChem (CID 103980910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).