1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine

C11H17N3 — CID 146338288

IUPAC1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine
SMILESCN1CCN(C)c2ccc(N)cc2C1
InChIInChI=1S/C11H17N3/c1-13-5-6-14(2)11-4-3-10(12)7-9(11)8-13/h3-4,7H,5-6,8,12H2,1-2H3
InChIKeyFWNNHVOXMSDKAR-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.15
Rot. Bonds

About 1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine

1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine (PubChem CID 146338288) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine.

Molecular Properties

Compound Name1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine
PubChem CID146338288
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine
SMILESCN1CCN(C)c2ccc(N)cc2C1
InChIInChI=1S/C11H17N3/c1-13-5-6-14(2)11-4-3-10(12)7-9(11)8-13/h3-4,7H,5-6,8,12H2,1-2H3
InChIKeyFWNNHVOXMSDKAR-UHFFFAOYSA-N
XLogP1.15
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

1,4-dimethyl-2,3-dihydroquinoxalin-6-amine
CID 96742097
N-tert-butyl-1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine
CID 155362654
ethane;3-methyl-4-(4-methylpiperazin-1-yl)aniline
CID 170593153
13-methyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaen-5-amine
CID 10514911
1,4,4-trimethyl-2,3-dihydroquinolin-6-amine
CID 53407083
3-iodo-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)aniline
CID 66092951
3-bromo-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)aniline
CID 55236725
1-methyl-2H-quinolin-6-amine
CID 142426312
(1-methyl-2,3-dihydroindol-5-yl)hydrazine
CID 116997170
(1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 110485510
5-amino-2-(4-methyl-1,4-diazepan-1-yl)benzonitrile
CID 61283993
1-(5-amino-2,3-dihydroindol-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 90209639

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine?
The IUPAC name of 1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine (CID 146338288) is 1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine.
What is the SMILES notation for 1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine?
The canonical SMILES for 1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine is CN1CCN(C)c2ccc(N)cc2C1.
What is the InChIKey of 1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine?
The InChIKey is FWNNHVOXMSDKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-13-5-6-14(2)11-4-3-10(12)7-9(11)8-13/h3-4,7H,5-6,8,12H2,1-2H3.
What are the key properties of 1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine?
1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine has a molecular weight of 191.28 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine is sourced from PubChem (CID 146338288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).