1-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine

C13H20N2 — CID 63101229

IUPAC1-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
SMILESCC(C)CN1CCNCc2ccccc21
InChIInChI=1S/C13H20N2/c1-11(2)10-15-8-7-14-9-12-5-3-4-6-13(12)15/h3-6,11,14H,7-10H2,1-2H3
InChIKeyNNSUXVGPHAOLFF-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.25
Rot. Bonds2

About 1-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine

1-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine (PubChem CID 63101229) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine.

Molecular Properties

Compound Name1-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
PubChem CID63101229
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
SMILESCC(C)CN1CCNCc2ccccc21
InChIInChI=1S/C13H20N2/c1-11(2)10-15-8-7-14-9-12-5-3-4-6-13(12)15/h3-6,11,14H,7-10H2,1-2H3
InChIKeyNNSUXVGPHAOLFF-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)butan-2-ol
CID 63100698
N,N-bis(2-methylpropyl)-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide
CID 119920998
1-[(4-propan-2-ylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 63101546
N,N-bis(2-methylpropyl)-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide;hydrochloride
CID 119920997
5-(2-methylpropyl)-2,3,4,6-tetrahydro-1H-2,5-benzodiazocine
CID 117015505
2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethanol;dihydrochloride
CID 22238015
1-[(3,5-dimethylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 63101553
2,2-dimethyl-3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanoic acid
CID 79621763
ethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline
CID 170597916
1-(2-phenylethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 63101061
1-(3-fluoropropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 81114013
N-[2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]acetamide
CID 63101501

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine?
The IUPAC name of 1-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine (CID 63101229) is 1-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine.
What is the SMILES notation for 1-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine?
The canonical SMILES for 1-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine is CC(C)CN1CCNCc2ccccc21.
What is the InChIKey of 1-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine?
The InChIKey is NNSUXVGPHAOLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-11(2)10-15-8-7-14-9-12-5-3-4-6-13(12)15/h3-6,11,14H,7-10H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine?
1-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine has a molecular weight of 204.32 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine is sourced from PubChem (CID 63101229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).