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

C15H22N2 — CID 113361558

IUPACN-(2,2-dimethylcyclopropyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESCC1(C)CC1NC1CCNCc2ccccc21
InChIInChI=1S/C15H22N2/c1-15(2)9-14(15)17-13-7-8-16-10-11-5-3-4-6-12(11)13/h3-6,13-14,16-17H,7-10H2,1-2H3
InChIKeyNZESKZFCWODBJR-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.61
Rot. Bonds2

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

N-(2,2-dimethylcyclopropyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (PubChem CID 113361558) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopropyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopropyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
PubChem CID113361558
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC NameN-(2,2-dimethylcyclopropyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESCC1(C)CC1NC1CCNCc2ccccc21
InChIInChI=1S/C15H22N2/c1-15(2)9-14(15)17-13-7-8-16-10-11-5-3-4-6-12(11)13/h3-6,13-14,16-17H,7-10H2,1-2H3
InChIKeyNZESKZFCWODBJR-UHFFFAOYSA-N
XLogP2.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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-cycloheptyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980640
N-(2-methylcyclohexyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980528
3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)cyclobutan-1-ol
CID 103982387
N-(2,3-dimethylcyclohexyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980585
3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)piperidine-2,6-dione
CID 103982382
N-(oxolan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982525
N-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982717
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)azepan-2-one
CID 103981131
N-(cyclobutylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980896
N-(2-cyclopropylethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 113361593
N-(2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980517

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopropyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The IUPAC name of N-(2,2-dimethylcyclopropyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (CID 113361558) is N-(2,2-dimethylcyclopropyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.
What is the SMILES notation for N-(2,2-dimethylcyclopropyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The canonical SMILES for N-(2,2-dimethylcyclopropyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is CC1(C)CC1NC1CCNCc2ccccc21.
What is the InChIKey of N-(2,2-dimethylcyclopropyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The InChIKey is NZESKZFCWODBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-15(2)9-14(15)17-13-7-8-16-10-11-5-3-4-6-12(11)13/h3-6,13-14,16-17H,7-10H2,1-2H3.
What are the key properties of N-(2,2-dimethylcyclopropyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
N-(2,2-dimethylcyclopropyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine has a molecular weight of 230.35 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopropyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is sourced from PubChem (CID 113361558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).