N,N-dimethyl-2-(7-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethanamine

C14H23N3 — CID 82243168

IUPACN,N-dimethyl-2-(7-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethanamine
SMILESCc1ccc2c(c1)CNCCN2CCN(C)C
InChIInChI=1S/C14H23N3/c1-12-4-5-14-13(10-12)11-15-6-7-17(14)9-8-16(2)3/h4-5,10,15H,6-9,11H2,1-3H3
InChIKeyIMEYHEUYFWXBID-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.47
Rot. Bonds3

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

N,N-dimethyl-2-(7-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethanamine (PubChem CID 82243168) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N,N-dimethyl-2-(7-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(7-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethanamine
PubChem CID82243168
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN,N-dimethyl-2-(7-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethanamine
SMILESCc1ccc2c(c1)CNCCN2CCN(C)C
InChIInChI=1S/C14H23N3/c1-12-4-5-14-13(10-12)11-15-6-7-17(14)9-8-16(2)3/h4-5,10,15H,6-9,11H2,1-3H3
InChIKeyIMEYHEUYFWXBID-UHFFFAOYSA-N
XLogP1.47
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(7-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(7-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethanamine (CID 82243168) is N,N-dimethyl-2-(7-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(7-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(7-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethanamine is Cc1ccc2c(c1)CNCCN2CCN(C)C.
What is the InChIKey of N,N-dimethyl-2-(7-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethanamine?
The InChIKey is IMEYHEUYFWXBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-12-4-5-14-13(10-12)11-15-6-7-17(14)9-8-16(2)3/h4-5,10,15H,6-9,11H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(7-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethanamine?
N,N-dimethyl-2-(7-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethanamine has a molecular weight of 233.36 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(7-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethanamine is sourced from PubChem (CID 82243168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).