1-(naphthalen-1-ylmethyl)-1,5-diazocane

C17H22N2 — CID 62369644

IUPAC1-(naphthalen-1-ylmethyl)-1,5-diazocane
SMILESc1ccc2c(CN3CCCNCCC3)cccc2c1
InChIInChI=1S/C17H22N2/c1-2-9-17-15(6-1)7-3-8-16(17)14-19-12-4-10-18-11-5-13-19/h1-3,6-9,18H,4-5,10-14H2
InChIKeyFAXIDRBQLHTQCQ-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.03
Rot. Bonds2

About 1-(naphthalen-1-ylmethyl)-1,5-diazocane

1-(naphthalen-1-ylmethyl)-1,5-diazocane (PubChem CID 62369644) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-(naphthalen-1-ylmethyl)-1,5-diazocane.

Molecular Properties

Compound Name1-(naphthalen-1-ylmethyl)-1,5-diazocane
PubChem CID62369644
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-(naphthalen-1-ylmethyl)-1,5-diazocane
SMILESc1ccc2c(CN3CCCNCCC3)cccc2c1
InChIInChI=1S/C17H22N2/c1-2-9-17-15(6-1)7-3-8-16(17)14-19-12-4-10-18-11-5-13-19/h1-3,6-9,18H,4-5,10-14H2
InChIKeyFAXIDRBQLHTQCQ-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(naphthalen-1-ylmethyl)-1,5-diazocane 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

1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
N-(naphthalen-1-ylmethyl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 56809382
3-ethyl-3-methyl-1-(naphthalen-1-ylmethyl)-1,4-diazepane
CID 64871720
4-(naphthalen-1-ylmethyl)thiomorpholine
CID 791354
1-[(2-fluorophenyl)methyl]-1,4-diazepane;hydrate;dihydrochloride
CID 47000648
4-(piperazin-1-ylmethyl)isoquinoline
CID 84791624
2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetonitrile
CID 34902193
naphthalen-1-yl-[2-(piperazin-1-ylmethyl)phenyl]methanethiol
CID 22744873
3-chloro-1-(naphthalen-1-ylmethyl)piperidine
CID 55182607
1-[(4-piperidin-4-ylnaphthalen-1-yl)methyl]piperidine;dihydrochloride
CID 130367096
1-benzhydryl-4-(naphthalen-1-ylmethyl)piperazine
CID 3431056
3-(naphthalen-1-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane
CID 81495523

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-ylmethyl)-1,5-diazocane?
The IUPAC name of 1-(naphthalen-1-ylmethyl)-1,5-diazocane (CID 62369644) is 1-(naphthalen-1-ylmethyl)-1,5-diazocane.
What is the SMILES notation for 1-(naphthalen-1-ylmethyl)-1,5-diazocane?
The canonical SMILES for 1-(naphthalen-1-ylmethyl)-1,5-diazocane is c1ccc2c(CN3CCCNCCC3)cccc2c1.
What is the InChIKey of 1-(naphthalen-1-ylmethyl)-1,5-diazocane?
The InChIKey is FAXIDRBQLHTQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-2-9-17-15(6-1)7-3-8-16(17)14-19-12-4-10-18-11-5-13-19/h1-3,6-9,18H,4-5,10-14H2.
What are the key properties of 1-(naphthalen-1-ylmethyl)-1,5-diazocane?
1-(naphthalen-1-ylmethyl)-1,5-diazocane has a molecular weight of 254.38 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-ylmethyl)-1,5-diazocane is sourced from PubChem (CID 62369644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).