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

C15H22N2 — CID 113361593

IUPACN-(2-cyclopropylethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESc1ccc2c(c1)CNCCC2NCCC1CC1
InChIInChI=1S/C15H22N2/c1-2-4-14-13(3-1)11-16-9-8-15(14)17-10-7-12-5-6-12/h1-4,12,15-17H,5-11H2
InChIKeyICDJOQUERBVVNP-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.61
Rot. Bonds4

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

N-(2-cyclopropylethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (PubChem CID 113361593) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
PubChem CID113361593
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC NameN-(2-cyclopropylethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESc1ccc2c(c1)CNCCC2NCCC1CC1
InChIInChI=1S/C15H22N2/c1-2-4-14-13(3-1)11-16-9-8-15(14)17-10-7-12-5-6-12/h1-4,12,15-17H,5-11H2
InChIKeyICDJOQUERBVVNP-UHFFFAOYSA-N
XLogP2.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclopentylethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103981580
N-[2-(3-methylcyclohexyl)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982202
N-but-3-ynyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982195
N-(cyclobutylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980896
N-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980910
N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982163
N-[2-(azepan-1-yl)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103981782
N-(2-methylbutyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 113361569
N-methyl-2-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)ethanesulfonamide
CID 106333859
N-[(1-methylpiperidin-4-yl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103981901
N,N-dimethyl-2-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)ethanesulfonamide
CID 106335665
N-(2-but-3-enoxyethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 106397426

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The IUPAC name of N-(2-cyclopropylethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (CID 113361593) is N-(2-cyclopropylethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.
What is the SMILES notation for N-(2-cyclopropylethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The canonical SMILES for N-(2-cyclopropylethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is c1ccc2c(c1)CNCCC2NCCC1CC1.
What is the InChIKey of N-(2-cyclopropylethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The InChIKey is ICDJOQUERBVVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-2-4-14-13(3-1)11-16-9-8-15(14)17-10-7-12-5-6-12/h1-4,12,15-17H,5-11H2.
What are the key properties of N-(2-cyclopropylethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
N-(2-cyclopropylethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine has a molecular weight of 230.35 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is sourced from PubChem (CID 113361593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).