3,3-dimethyl-1-propan-2-yl-1,4-diazocane

C11H24N2 — CID 117016451

IUPAC3,3-dimethyl-1-propan-2-yl-1,4-diazocane
SMILESCC(C)N1CCCCNC(C)(C)C1
InChIInChI=1S/C11H24N2/c1-10(2)13-8-6-5-7-12-11(3,4)9-13/h10,12H,5-9H2,1-4H3
InChIKeyHUWKKFXZEUGBRL-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.86
Rot. Bonds1

About 3,3-dimethyl-1-propan-2-yl-1,4-diazocane

3,3-dimethyl-1-propan-2-yl-1,4-diazocane (PubChem CID 117016451) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 3,3-dimethyl-1-propan-2-yl-1,4-diazocane.

Molecular Properties

Compound Name3,3-dimethyl-1-propan-2-yl-1,4-diazocane
PubChem CID117016451
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name3,3-dimethyl-1-propan-2-yl-1,4-diazocane
SMILESCC(C)N1CCCCNC(C)(C)C1
InChIInChI=1S/C11H24N2/c1-10(2)13-8-6-5-7-12-11(3,4)9-13/h10,12H,5-9H2,1-4H3
InChIKeyHUWKKFXZEUGBRL-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-1-(3-methylbutan-2-yl)-1,4-diazepane
CID 64944708
1-(1-cyclohexylethyl)-3,3-dimethyl-1,4-diazepane
CID 64950758
3-cyclopropyl-3-methyl-1-propan-2-yl-1,4-diazepane
CID 64871487
1-(1-methoxy-3-methylbutan-2-yl)-3,3-dimethyl-1,4-diazepane
CID 65053715
3,3-dimethyl-1-octan-2-yl-1,4-diazepane
CID 64943236
6-propan-2-yl-1,6-diazaspiro[2.4]heptane
CID 155640500
3,3-dimethyl-1-propan-2-ylazepane
CID 58110344
8-propan-2-yl-2,8-diazaspiro[5.6]dodecane
CID 168995740
3,3-dimethyl-1-[1-(oxolan-2-yl)ethyl]-1,4-diazepane
CID 64945119
1-(3,3-dimethylbutan-2-yl)-3,3-dimethylpiperazine
CID 104830208
molecular hydrogen;8-propan-2-yl-1,8-diazaspiro[3.5]nonane
CID 170571753
3,3-dimethyl-1-(5-methylhexan-2-yl)piperazine
CID 64954024

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-propan-2-yl-1,4-diazocane?
The IUPAC name of 3,3-dimethyl-1-propan-2-yl-1,4-diazocane (CID 117016451) is 3,3-dimethyl-1-propan-2-yl-1,4-diazocane.
What is the SMILES notation for 3,3-dimethyl-1-propan-2-yl-1,4-diazocane?
The canonical SMILES for 3,3-dimethyl-1-propan-2-yl-1,4-diazocane is CC(C)N1CCCCNC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-1-propan-2-yl-1,4-diazocane?
The InChIKey is HUWKKFXZEUGBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-10(2)13-8-6-5-7-12-11(3,4)9-13/h10,12H,5-9H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-propan-2-yl-1,4-diazocane?
3,3-dimethyl-1-propan-2-yl-1,4-diazocane has a molecular weight of 184.33 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-propan-2-yl-1,4-diazocane is sourced from PubChem (CID 117016451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).