3-(7-ethyl-5-methyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)propan-1-amine

C15H25N3 — CID 84632932

IUPAC3-(7-ethyl-5-methyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)propan-1-amine
SMILESCCc1ccc2c(c1)N(C)CCCN2CCCN
InChIInChI=1S/C15H25N3/c1-3-13-6-7-14-15(12-13)17(2)9-5-11-18(14)10-4-8-16/h6-7,12H,3-5,8-11,16H2,1-2H3
InChIKeyGTAABILUDWPLRM-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.24
Rot. Bonds4

About 3-(7-ethyl-5-methyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)propan-1-amine

3-(7-ethyl-5-methyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)propan-1-amine (PubChem CID 84632932) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 3-(7-ethyl-5-methyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(7-ethyl-5-methyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)propan-1-amine
PubChem CID84632932
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name3-(7-ethyl-5-methyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)propan-1-amine
SMILESCCc1ccc2c(c1)N(C)CCCN2CCCN
InChIInChI=1S/C15H25N3/c1-3-13-6-7-14-15(12-13)17(2)9-5-11-18(14)10-4-8-16/h6-7,12H,3-5,8-11,16H2,1-2H3
InChIKeyGTAABILUDWPLRM-UHFFFAOYSA-N
XLogP2.24
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propan-1-amine
CID 84635075
1-(3-aminopropyl)-7-ethyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 84632876
3-(8-bromo-1,6-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propan-1-amine
CID 84645439
2-(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)ethanamine
CID 84629586
3-(1-butyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine
CID 170867536
N'-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]butane-1,4-diamine
CID 62094966
(1-heptyl-3,4-dihydro-2H-quinolin-6-yl)methanamine
CID 63527146
3-(1-methyl-2,3-dihydroindol-5-yl)propan-1-amine
CID 62095510
3-[4-(4-ethylphenyl)piperazin-1-yl]propan-1-amine
CID 82017690
1,6-diethyl-4-methyl-3H-quinoxalin-2-one
CID 155066650
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine
CID 28806962
4-ethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62097544

Frequently Asked Questions

What is the IUPAC name of 3-(7-ethyl-5-methyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)propan-1-amine?
The IUPAC name of 3-(7-ethyl-5-methyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)propan-1-amine (CID 84632932) is 3-(7-ethyl-5-methyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)propan-1-amine.
What is the SMILES notation for 3-(7-ethyl-5-methyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)propan-1-amine?
The canonical SMILES for 3-(7-ethyl-5-methyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)propan-1-amine is CCc1ccc2c(c1)N(C)CCCN2CCCN.
What is the InChIKey of 3-(7-ethyl-5-methyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)propan-1-amine?
The InChIKey is GTAABILUDWPLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-13-6-7-14-15(12-13)17(2)9-5-11-18(14)10-4-8-16/h6-7,12H,3-5,8-11,16H2,1-2H3.
What are the key properties of 3-(7-ethyl-5-methyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)propan-1-amine?
3-(7-ethyl-5-methyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)propan-1-amine has a molecular weight of 247.39 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-(7-ethyl-5-methyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)propan-1-amine is sourced from PubChem (CID 84632932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).