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

C14H20N6 — CID 107040747

IUPACN-methyl-1-[(2-methyltetrazol-5-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
SMILESCNC1CCCN(Cc2nnn(C)n2)c2ccccc21
InChIInChI=1S/C14H20N6/c1-15-12-7-5-9-20(10-14-16-18-19(2)17-14)13-8-4-3-6-11(12)13/h3-4,6,8,12,15H,5,7,9-10H2,1-2H3
InChIKeyQWBHGAXUQUWHKM-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.27
Rot. Bonds3

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

N-methyl-1-[(2-methyltetrazol-5-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine (PubChem CID 107040747) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is N-methyl-1-[(2-methyltetrazol-5-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine.

Molecular Properties

Compound NameN-methyl-1-[(2-methyltetrazol-5-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
PubChem CID107040747
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC NameN-methyl-1-[(2-methyltetrazol-5-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
SMILESCNC1CCCN(Cc2nnn(C)n2)c2ccccc21
InChIInChI=1S/C14H20N6/c1-15-12-7-5-9-20(10-14-16-18-19(2)17-14)13-8-4-3-6-11(12)13/h3-4,6,8,12,15H,5,7,9-10H2,1-2H3
InChIKeyQWBHGAXUQUWHKM-UHFFFAOYSA-N
XLogP1.27
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-1-[(2-methyltetrazol-5-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine with MolForge

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Related Compounds

N-methyl-1-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336172
1-ethyl-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336204
2-methyl-4-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]butan-2-ol
CID 114336322
1-[2-(2-methoxyethoxy)ethyl]-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336239
N,N-dimethyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]acetamide
CID 114336281
N-ethyl-1-[(1-methyltriazol-4-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 107040750
N-methyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylacetamide
CID 114336292
N-methyl-1-[(5-methyl-3-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-4-amine
CID 102880170
1-[3-(dimethylamino)propyl]-N-methyl-3,4-dihydro-2H-quinolin-4-amine
CID 114524574
1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 114338490
7-chloro-1-[(2-methyltetrazol-5-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepine
CID 136552606
N-methyl-1-(4,4,4-trifluorobutyl)-3,4-dihydro-2H-quinolin-4-amine
CID 115512957

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2-methyltetrazol-5-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The IUPAC name of N-methyl-1-[(2-methyltetrazol-5-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine (CID 107040747) is N-methyl-1-[(2-methyltetrazol-5-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine.
What is the SMILES notation for N-methyl-1-[(2-methyltetrazol-5-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The canonical SMILES for N-methyl-1-[(2-methyltetrazol-5-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine is CNC1CCCN(Cc2nnn(C)n2)c2ccccc21.
What is the InChIKey of N-methyl-1-[(2-methyltetrazol-5-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The InChIKey is QWBHGAXUQUWHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-15-12-7-5-9-20(10-14-16-18-19(2)17-14)13-8-4-3-6-11(12)13/h3-4,6,8,12,15H,5,7,9-10H2,1-2H3.
What are the key properties of N-methyl-1-[(2-methyltetrazol-5-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
N-methyl-1-[(2-methyltetrazol-5-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine has a molecular weight of 272.36 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2-methyltetrazol-5-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine is sourced from PubChem (CID 107040747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).