1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,4-diazepane

C16H24N2 — CID 63772764

IUPAC1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,4-diazepane
SMILESc1ccc2c(c1)CCCC2CN1CCCNCC1
InChIInChI=1S/C16H24N2/c1-2-8-16-14(5-1)6-3-7-15(16)13-18-11-4-9-17-10-12-18/h1-2,5,8,15,17H,3-4,6-7,9-13H2
InChIKeyYAZIOLTZBXCYEE-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.40
Rot. Bonds2

About 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,4-diazepane

1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,4-diazepane (PubChem CID 63772764) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,4-diazepane.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,4-diazepane
PubChem CID63772764
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,4-diazepane
SMILESc1ccc2c(c1)CCCC2CN1CCCNCC1
InChIInChI=1S/C16H24N2/c1-2-8-16-14(5-1)6-3-7-15(16)13-18-11-4-9-17-10-12-18/h1-2,5,8,15,17H,3-4,6-7,9-13H2
InChIKeyYAZIOLTZBXCYEE-UHFFFAOYSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,4-diazepane 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

[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]methanol
CID 55242278
3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine
CID 64833584
1-(2-bromoethyl)-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine
CID 80678906
3-chloro-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine
CID 63771318
2-(1,4-diazepan-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
CID 119905959
2-propan-2-yl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine
CID 64832346
1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane
CID 62316741
1-phenyl-8-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 10156328
N-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]methyl]ethanamine
CID 63772800
N-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]ethanamine
CID 63854126
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
N'-hydroxy-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidine-3-carboximidamide
CID 77041361

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,4-diazepane?
The IUPAC name of 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,4-diazepane (CID 63772764) is 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,4-diazepane.
What is the SMILES notation for 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,4-diazepane?
The canonical SMILES for 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,4-diazepane is c1ccc2c(c1)CCCC2CN1CCCNCC1.
What is the InChIKey of 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,4-diazepane?
The InChIKey is YAZIOLTZBXCYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-8-16-14(5-1)6-3-7-15(16)13-18-11-4-9-17-10-12-18/h1-2,5,8,15,17H,3-4,6-7,9-13H2.
What are the key properties of 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,4-diazepane?
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,4-diazepane has a molecular weight of 244.38 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,4-diazepane is sourced from PubChem (CID 63772764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).