4-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroisoquinoline

C15H23N3 — CID 63938382

IUPAC4-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCN1CCCN(C2CNCc3ccccc32)CC1
InChIInChI=1S/C15H23N3/c1-17-7-4-8-18(10-9-17)15-12-16-11-13-5-2-3-6-14(13)15/h2-3,5-6,15-16H,4,7-12H2,1H3
InChIKeyHPKUAVNNMJNUDH-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.47
Rot. Bonds1

About 4-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroisoquinoline

4-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 63938382) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID63938382
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name4-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCN1CCCN(C2CNCc3ccccc32)CC1
InChIInChI=1S/C15H23N3/c1-17-7-4-8-18(10-9-17)15-12-16-11-13-5-2-3-6-14(13)15/h2-3,5-6,15-16H,4,7-12H2,1H3
InChIKeyHPKUAVNNMJNUDH-UHFFFAOYSA-N
XLogP1.47
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroisoquinoline (CID 63938382) is 4-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroisoquinoline is CN1CCCN(C2CNCc3ccccc32)CC1.
What is the InChIKey of 4-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is HPKUAVNNMJNUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-17-7-4-8-18(10-9-17)15-12-16-11-13-5-2-3-6-14(13)15/h2-3,5-6,15-16H,4,7-12H2,1H3.
What are the key properties of 4-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroisoquinoline?
4-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 245.37 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 63938382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).