1-[1-(4-bromophenyl)-4,6-dimethyl-1,4-diazepan-2-yl]-N-methylmethanamine

C15H24BrN3 — CID 84607385

IUPAC1-[1-(4-bromophenyl)-4,6-dimethyl-1,4-diazepan-2-yl]-N-methylmethanamine
SMILESCNCC1CN(C)CC(C)CN1c1ccc(Br)cc1
InChIInChI=1S/C15H24BrN3/c1-12-9-18(3)11-15(8-17-2)19(10-12)14-6-4-13(16)5-7-14/h4-7,12,15,17H,8-11H2,1-3H3
InChIKeyFQXGYQWUTSCXRR-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.42
Rot. Bonds3

About 1-[1-(4-bromophenyl)-4,6-dimethyl-1,4-diazepan-2-yl]-N-methylmethanamine

1-[1-(4-bromophenyl)-4,6-dimethyl-1,4-diazepan-2-yl]-N-methylmethanamine (PubChem CID 84607385) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)-4,6-dimethyl-1,4-diazepan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)-4,6-dimethyl-1,4-diazepan-2-yl]-N-methylmethanamine
PubChem CID84607385
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name1-[1-(4-bromophenyl)-4,6-dimethyl-1,4-diazepan-2-yl]-N-methylmethanamine
SMILESCNCC1CN(C)CC(C)CN1c1ccc(Br)cc1
InChIInChI=1S/C15H24BrN3/c1-12-9-18(3)11-15(8-17-2)19(10-12)14-6-4-13(16)5-7-14/h4-7,12,15,17H,8-11H2,1-3H3
InChIKeyFQXGYQWUTSCXRR-UHFFFAOYSA-N
XLogP2.42
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)-4,6-dimethyl-1,4-diazepan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-bromophenyl)-4,6-dimethyl-1,4-diazepan-2-yl]-N-methylmethanamine (CID 84607385) is 1-[1-(4-bromophenyl)-4,6-dimethyl-1,4-diazepan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-bromophenyl)-4,6-dimethyl-1,4-diazepan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-bromophenyl)-4,6-dimethyl-1,4-diazepan-2-yl]-N-methylmethanamine is CNCC1CN(C)CC(C)CN1c1ccc(Br)cc1.
What is the InChIKey of 1-[1-(4-bromophenyl)-4,6-dimethyl-1,4-diazepan-2-yl]-N-methylmethanamine?
The InChIKey is FQXGYQWUTSCXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-12-9-18(3)11-15(8-17-2)19(10-12)14-6-4-13(16)5-7-14/h4-7,12,15,17H,8-11H2,1-3H3.
What are the key properties of 1-[1-(4-bromophenyl)-4,6-dimethyl-1,4-diazepan-2-yl]-N-methylmethanamine?
1-[1-(4-bromophenyl)-4,6-dimethyl-1,4-diazepan-2-yl]-N-methylmethanamine has a molecular weight of 326.28 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)-4,6-dimethyl-1,4-diazepan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 84607385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).