3-(3,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)-N,N-dimethylpropan-1-amine

C16H27N3 — CID 82246275

IUPAC3-(3,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)-N,N-dimethylpropan-1-amine
SMILESCc1ccc2c(c1)CNC(C)CN2CCCN(C)C
InChIInChI=1S/C16H27N3/c1-13-6-7-16-15(10-13)11-17-14(2)12-19(16)9-5-8-18(3)4/h6-7,10,14,17H,5,8-9,11-12H2,1-4H3
InChIKeyBGFVLWLYTVYGNW-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.24
Rot. Bonds4

About 3-(3,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)-N,N-dimethylpropan-1-amine

3-(3,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)-N,N-dimethylpropan-1-amine (PubChem CID 82246275) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-(3,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(3,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)-N,N-dimethylpropan-1-amine
PubChem CID82246275
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name3-(3,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)-N,N-dimethylpropan-1-amine
SMILESCc1ccc2c(c1)CNC(C)CN2CCCN(C)C
InChIInChI=1S/C16H27N3/c1-13-6-7-16-15(10-13)11-17-14(2)12-19(16)9-5-8-18(3)4/h6-7,10,14,17H,5,8-9,11-12H2,1-4H3
InChIKeyBGFVLWLYTVYGNW-UHFFFAOYSA-N
XLogP2.24
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)-N,N-dimethylpropan-1-amine with MolForge

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Related Compounds

1-ethyl-3,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 82241399
N,N-dimethyl-3-(7-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propan-1-amine
CID 82244569
3,7-dimethyl-1-(2-phenoxyethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 82251727
3,7-dimethyl-1-[(3-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 82249082
N,N-dimethyl-2-(7-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethanamine
CID 82243168
1-cyclohexyl-3,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 82245752
3-methyl-1-(2-pyrrolidin-1-ylethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 82245846
3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 79909367
3-methyl-1-[3-(oxolan-2-yl)propyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 79908559
1-(2-ethylsulfonylethyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 106733427
1-[2-(2-methoxyethoxy)ethyl]-3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 79907092
N,N-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]propan-1-amine
CID 95436399

Frequently Asked Questions

What is the IUPAC name of 3-(3,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(3,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)-N,N-dimethylpropan-1-amine (CID 82246275) is 3-(3,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(3,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(3,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)-N,N-dimethylpropan-1-amine is Cc1ccc2c(c1)CNC(C)CN2CCCN(C)C.
What is the InChIKey of 3-(3,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is BGFVLWLYTVYGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-13-6-7-16-15(10-13)11-17-14(2)12-19(16)9-5-8-18(3)4/h6-7,10,14,17H,5,8-9,11-12H2,1-4H3.
What are the key properties of 3-(3,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)-N,N-dimethylpropan-1-amine?
3-(3,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 82246275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).