2,2-dimethyl-1-(1-phenylethyl)-1,5-diazocane

C16H26N2 — CID 117014797

IUPAC2,2-dimethyl-1-(1-phenylethyl)-1,5-diazocane
SMILESCC(c1ccccc1)N1CCCNCCC1(C)C
InChIInChI=1S/C16H26N2/c1-14(15-8-5-4-6-9-15)18-13-7-11-17-12-10-16(18,2)3/h4-6,8-9,14,17H,7,10-13H2,1-3H3
InChIKeyKKUPSJVBKBSDPN-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.21
Rot. Bonds2

About 2,2-dimethyl-1-(1-phenylethyl)-1,5-diazocane

2,2-dimethyl-1-(1-phenylethyl)-1,5-diazocane (PubChem CID 117014797) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2,2-dimethyl-1-(1-phenylethyl)-1,5-diazocane.

Molecular Properties

Compound Name2,2-dimethyl-1-(1-phenylethyl)-1,5-diazocane
PubChem CID117014797
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2,2-dimethyl-1-(1-phenylethyl)-1,5-diazocane
SMILESCC(c1ccccc1)N1CCCNCCC1(C)C
InChIInChI=1S/C16H26N2/c1-14(15-8-5-4-6-9-15)18-13-7-11-17-12-10-16(18,2)3/h4-6,8-9,14,17H,7,10-13H2,1-3H3
InChIKeyKKUPSJVBKBSDPN-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-1-(1-phenylethyl)-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

2-methyl-1-(1-phenylethyl)pyrrolidine-2-carbonitrile
CID 78011341
2-methyl-1-(1-phenylethyl)-1,4-diazepane
CID 82242013
1-[(1S)-1-phenylethyl]piperazine;dihydrochloride
CID 57383523
[2,2-dimethyl-1-(1-phenylethyl)piperidin-3-yl]methanol
CID 117019776
6,6-dimethyl-1-(1-phenylethyl)piperidin-3-one
CID 117020911
2,2-dimethyl-1-(1-phenylethyl)piperidine-3-carboxylic acid
CID 117019429
2-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylic acid
CID 83080387
2,2-dimethyl-1-(2-methyl-1-phenylpropyl)piperazine
CID 65461902
2-diethoxyphosphoryl-2-methyl-1-[(1R)-1-phenylethyl]pyrrolidine
CID 102449171
2-(2,2-dimethylpyrrolidin-1-yl)-3-phenylbutan-1-amine
CID 63215713
1-(1-phenylethyl)-1-azaspiro[4.5]decan-4-one
CID 172837508
(1R,5S)-1-methyl-2-[(1R)-1-phenylethyl]-2-azabicyclo[3.1.0]hexane
CID 102053741

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(1-phenylethyl)-1,5-diazocane?
The IUPAC name of 2,2-dimethyl-1-(1-phenylethyl)-1,5-diazocane (CID 117014797) is 2,2-dimethyl-1-(1-phenylethyl)-1,5-diazocane.
What is the SMILES notation for 2,2-dimethyl-1-(1-phenylethyl)-1,5-diazocane?
The canonical SMILES for 2,2-dimethyl-1-(1-phenylethyl)-1,5-diazocane is CC(c1ccccc1)N1CCCNCCC1(C)C.
What is the InChIKey of 2,2-dimethyl-1-(1-phenylethyl)-1,5-diazocane?
The InChIKey is KKUPSJVBKBSDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-14(15-8-5-4-6-9-15)18-13-7-11-17-12-10-16(18,2)3/h4-6,8-9,14,17H,7,10-13H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(1-phenylethyl)-1,5-diazocane?
2,2-dimethyl-1-(1-phenylethyl)-1,5-diazocane has a molecular weight of 246.40 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(1-phenylethyl)-1,5-diazocane is sourced from PubChem (CID 117014797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).