N-methyl-N-[(2-methylcyclopropyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine

C16H24N2 — CID 113361724

IUPACN-methyl-N-[(2-methylcyclopropyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESCC1CC1CN(C)C1CCNCc2ccccc21
InChIInChI=1S/C16H24N2/c1-12-9-14(12)11-18(2)16-7-8-17-10-13-5-3-4-6-15(13)16/h3-6,12,14,16-17H,7-11H2,1-2H3
InChIKeyAGAUCEPGAGVYLX-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.81
Rot. Bonds3

About N-methyl-N-[(2-methylcyclopropyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine

N-methyl-N-[(2-methylcyclopropyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (PubChem CID 113361724) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-methyl-N-[(2-methylcyclopropyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.

Molecular Properties

Compound NameN-methyl-N-[(2-methylcyclopropyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
PubChem CID113361724
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-methyl-N-[(2-methylcyclopropyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESCC1CC1CN(C)C1CCNCc2ccccc21
InChIInChI=1S/C16H24N2/c1-12-9-14(12)11-18(2)16-7-8-17-10-13-5-3-4-6-15(13)16/h3-6,12,14,16-17H,7-11H2,1-2H3
InChIKeyAGAUCEPGAGVYLX-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 113361703
N,N-dipropyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103983115
N-(furan-2-ylmethyl)-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103983188
N-(4-fluorophenyl)-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103983396
N-cyclopropyl-N-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103983485
2-[methyl(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)amino]-1-pyrrolidin-1-ylethanone
CID 103983282
N'-ethyl-N,N-dimethyl-N'-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)propane-1,3-diamine
CID 102998669
N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 119929963
N-(3-fluorophenyl)-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103983408
2-[2-methylpropyl(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)amino]acetamide
CID 103983374
N-methyl-N-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107149986
5-[(dimethylamino)methyl]-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)pyrrolidin-3-ol
CID 103983507

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylcyclopropyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The IUPAC name of N-methyl-N-[(2-methylcyclopropyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (CID 113361724) is N-methyl-N-[(2-methylcyclopropyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.
What is the SMILES notation for N-methyl-N-[(2-methylcyclopropyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The canonical SMILES for N-methyl-N-[(2-methylcyclopropyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is CC1CC1CN(C)C1CCNCc2ccccc21.
What is the InChIKey of N-methyl-N-[(2-methylcyclopropyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The InChIKey is AGAUCEPGAGVYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-12-9-14(12)11-18(2)16-7-8-17-10-13-5-3-4-6-15(13)16/h3-6,12,14,16-17H,7-11H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methylcyclopropyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
N-methyl-N-[(2-methylcyclopropyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine has a molecular weight of 244.38 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylcyclopropyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is sourced from PubChem (CID 113361724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).