4-[(4,4-dimethylazepan-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline

C18H28N2 — CID 65282926

IUPAC4-[(4,4-dimethylazepan-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCC1(C)CCCN(CC2CNCc3ccccc32)CC1
InChIInChI=1S/C18H28N2/c1-18(2)8-5-10-20(11-9-18)14-16-13-19-12-15-6-3-4-7-17(15)16/h3-4,6-7,16,19H,5,8-14H2,1-2H3
InChIKeySZGVHCIUEZHQOF-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.39
Rot. Bonds2

About 4-[(4,4-dimethylazepan-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline

4-[(4,4-dimethylazepan-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 65282926) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 4-[(4,4-dimethylazepan-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-[(4,4-dimethylazepan-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID65282926
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name4-[(4,4-dimethylazepan-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCC1(C)CCCN(CC2CNCc3ccccc32)CC1
InChIInChI=1S/C18H28N2/c1-18(2)8-5-10-20(11-9-18)14-16-13-19-12-15-6-3-4-7-17(15)16/h3-4,6-7,16,19H,5,8-14H2,1-2H3
InChIKeySZGVHCIUEZHQOF-UHFFFAOYSA-N
XLogP3.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(4,4-dimethylazepan-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,7-dimethyl-4-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)-1,4-thiazepane
CID 107456239
4-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 65262220
4-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline
CID 65262476
(4,4-dimethylazepan-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 65281483
4-[(4-butan-2-ylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 65262520
4-(2-pyrrolidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104880
4-(2,2-dimethylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 63938983
4-(azetidin-1-ylmethyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 105491599
4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 65261901
4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 65262029
N,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine
CID 64989430
4-[(4-ethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104505031

Frequently Asked Questions

What is the IUPAC name of 4-[(4,4-dimethylazepan-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-[(4,4-dimethylazepan-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline (CID 65282926) is 4-[(4,4-dimethylazepan-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-[(4,4-dimethylazepan-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-[(4,4-dimethylazepan-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline is CC1(C)CCCN(CC2CNCc3ccccc32)CC1.
What is the InChIKey of 4-[(4,4-dimethylazepan-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is SZGVHCIUEZHQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-18(2)8-5-10-20(11-9-18)14-16-13-19-12-15-6-3-4-7-17(15)16/h3-4,6-7,16,19H,5,8-14H2,1-2H3.
What are the key properties of 4-[(4,4-dimethylazepan-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
4-[(4,4-dimethylazepan-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 272.44 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,4-dimethylazepan-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 65282926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).