4,4-dimethyl-1-propylazocane;ethane

C16H37N — CID 144928952

IUPAC4,4-dimethyl-1-propylazocane;ethane
SMILESCC.CC.CCCN1CCCCC(C)(C)CC1
InChIInChI=1S/C12H25N.2C2H6/c1-4-9-13-10-6-5-7-12(2,3)8-11-13;2*1-2/h4-11H2,1-3H3;2*1-2H3
InChIKeyNNQCIBNXUYYTRZ-UHFFFAOYSA-N
MW243.48 g/mol
LogP5.35
Rot. Bonds2

About 4,4-dimethyl-1-propylazocane;ethane

4,4-dimethyl-1-propylazocane;ethane (PubChem CID 144928952) has the molecular formula C16H37N and a molecular weight of 243.48 g/mol. Its IUPAC name is 4,4-dimethyl-1-propylazocane;ethane.

Molecular Properties

Compound Name4,4-dimethyl-1-propylazocane;ethane
PubChem CID144928952
Molecular FormulaC16H37N
Molecular Weight243.48 g/mol
Exact Mass243.29
IUPAC Name4,4-dimethyl-1-propylazocane;ethane
SMILESCC.CC.CCCN1CCCCC(C)(C)CC1
InChIInChI=1S/C12H25N.2C2H6/c1-4-9-13-10-6-5-7-12(2,3)8-11-13;2*1-2/h4-11H2,1-3H3;2*1-2H3
InChIKeyNNQCIBNXUYYTRZ-UHFFFAOYSA-N
XLogP5.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500243.48
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 18723213
1-hexyl-4,4-dimethylpiperidine
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1-propylpyrrolidine;hydrobromide
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4,4-dimethyl-1-(2-methylpropyl)piperidine;3,3-dimethyl-1-propylpiperidine
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1-propyl-4-(2-pyrrolidin-1-ylethyl)piperazine
CID 135208810
ethane;7-propyl-7-azaspiro[3.5]nonane
CID 176563590
6-(4,4-dimethylazepan-1-yl)-N-propylhexan-1-amine
CID 65286566
methanol;1-propylpiperidine
CID 171515121
1-ethyl-3,3-dimethylazepane
CID 90730492
4-(4,4-dimethylazepan-1-yl)-2-methylbutan-2-ol
CID 79361847
4,4-dimethyl-1-(4-methylpentyl)piperidine;ethane
CID 142891140
1,6,6-trimethylazecane
CID 137411495

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-propylazocane;ethane?
The IUPAC name of 4,4-dimethyl-1-propylazocane;ethane (CID 144928952) is 4,4-dimethyl-1-propylazocane;ethane.
What is the SMILES notation for 4,4-dimethyl-1-propylazocane;ethane?
The canonical SMILES for 4,4-dimethyl-1-propylazocane;ethane is CC.CC.CCCN1CCCCC(C)(C)CC1.
What is the InChIKey of 4,4-dimethyl-1-propylazocane;ethane?
The InChIKey is NNQCIBNXUYYTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N.2C2H6/c1-4-9-13-10-6-5-7-12(2,3)8-11-13;2*1-2/h4-11H2,1-3H3;2*1-2H3.
What are the key properties of 4,4-dimethyl-1-propylazocane;ethane?
4,4-dimethyl-1-propylazocane;ethane has a molecular weight of 243.48 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-propylazocane;ethane is sourced from PubChem (CID 144928952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).