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

C15H25N3 — CID 155362654

IUPACN-tert-butyl-1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine
SMILESCN1CCN(C)c2ccc(NC(C)(C)C)cc2C1
InChIInChI=1S/C15H25N3/c1-15(2,3)16-13-6-7-14-12(10-13)11-17(4)8-9-18(14)5/h6-7,10,16H,8-9,11H2,1-5H3
InChIKeyWAOLELJWDAMWDA-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.78
Rot. Bonds1

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

N-tert-butyl-1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine (PubChem CID 155362654) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-tert-butyl-1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine.

Molecular Properties

Compound NameN-tert-butyl-1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine
PubChem CID155362654
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-tert-butyl-1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine
SMILESCN1CCN(C)c2ccc(NC(C)(C)C)cc2C1
InChIInChI=1S/C15H25N3/c1-15(2,3)16-13-6-7-14-12(10-13)11-17(4)8-9-18(14)5/h6-7,10,16H,8-9,11H2,1-5H3
InChIKeyWAOLELJWDAMWDA-UHFFFAOYSA-N
XLogP2.78
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine
CID 146338288
N-tert-butyl-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine
CID 155362648
5-(tert-butylamino)-2-methyl-3H-isoindol-1-one
CID 155362630
N-tert-butyl-2,3-dihydro-1H-inden-5-amine;ethane
CID 167619505
N-ethyl-1-methyl-2,3-dihydroindol-5-amine
CID 82539913
N-tert-butyl-2-(4-methylpiperazin-1-yl)pyridin-4-amine
CID 58709836
(1-methyl-2,3-dihydroindol-5-yl)hydrazine
CID 116997170
N-(4-fluorophenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 82537194
1-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,4-dihydro-2H-quinolin-6-amine
CID 110452960
N',N'-dimethyl-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethane-1,2-diamine
CID 82539703
4-ethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62097544
N-tert-butyl-2-(2,2-difluoroethyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine;N-tert-butyl-2-ethylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-4-methyl-3,5-dihydro-2H-1,4-benzoxazepin-7-amine;N-tert-butyl-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-2-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-1,1,2-trimethyl-3,4-dihydroisoquinolin-7-amine;N-tert-butyl-2,4,4-trimethyl-1,3-dihydroisoquinolin-7-amine;6-(2,2-dimethylpropyl)-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane];6-(2,2-dimethylpropyl)-2-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]
CID 158033039

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine?
The IUPAC name of N-tert-butyl-1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine (CID 155362654) is N-tert-butyl-1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine.
What is the SMILES notation for N-tert-butyl-1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine?
The canonical SMILES for N-tert-butyl-1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine is CN1CCN(C)c2ccc(NC(C)(C)C)cc2C1.
What is the InChIKey of N-tert-butyl-1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine?
The InChIKey is WAOLELJWDAMWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-15(2,3)16-13-6-7-14-12(10-13)11-17(4)8-9-18(14)5/h6-7,10,16H,8-9,11H2,1-5H3.
What are the key properties of N-tert-butyl-1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine?
N-tert-butyl-1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine has a molecular weight of 247.39 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine is sourced from PubChem (CID 155362654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).