9-propan-2-yl-5-propyl-3-azaspiro[5.6]dodecane

C17H33N — CID 79321593

IUPAC9-propan-2-yl-5-propyl-3-azaspiro[5.6]dodecane
SMILESCCCC1CNCCC12CCCC(C(C)C)CC2
InChIInChI=1S/C17H33N/c1-4-6-16-13-18-12-11-17(16)9-5-7-15(8-10-17)14(2)3/h14-16,18H,4-13H2,1-3H3
InChIKeyVXMWIVFLNBJHFY-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.62
Rot. Bonds3

About 9-propan-2-yl-5-propyl-3-azaspiro[5.6]dodecane

9-propan-2-yl-5-propyl-3-azaspiro[5.6]dodecane (PubChem CID 79321593) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 9-propan-2-yl-5-propyl-3-azaspiro[5.6]dodecane.

Molecular Properties

Compound Name9-propan-2-yl-5-propyl-3-azaspiro[5.6]dodecane
PubChem CID79321593
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name9-propan-2-yl-5-propyl-3-azaspiro[5.6]dodecane
SMILESCCCC1CNCCC12CCCC(C(C)C)CC2
InChIInChI=1S/C17H33N/c1-4-6-16-13-18-12-11-17(16)9-5-7-15(8-10-17)14(2)3/h14-16,18H,4-13H2,1-3H3
InChIKeyVXMWIVFLNBJHFY-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-methyl-3'-propylspiro[8-azabicyclo[3.2.1]octane-3,4'-piperidine]
CID 79321115
5-methyl-9-propan-2-yl-3-azaspiro[5.5]undecane
CID 79321561
9-methyl-5-(2-methylpropyl)-3-azaspiro[5.6]dodecane
CID 79320901
11-propyl-2λ6-thia-9-azaspiro[5.5]undecane 2,2-dioxide
CID 79320236
5-cyclopentyl-9-propan-2-yl-3-azaspiro[5.5]undecane
CID 112570873
5-ethyl-3-azaspiro[5.11]heptadecane
CID 79321032
5-ethyl-3-azaspiro[5.7]tridecane
CID 79321134
6-propyl-2-oxa-8-azaspiro[4.5]decane
CID 79321500
5-ethyl-10-(2-methylpropyl)-3-azaspiro[5.5]undecane
CID 107430646
3'-propylspiro[1,3-dihydroindene-2,4'-piperidine]
CID 79320324
4-fluoro-4-methyl-3-propylpiperidine
CID 84716694
4-(methoxymethyl)-4-methyl-3-propylpiperidine
CID 79321116

Frequently Asked Questions

What is the IUPAC name of 9-propan-2-yl-5-propyl-3-azaspiro[5.6]dodecane?
The IUPAC name of 9-propan-2-yl-5-propyl-3-azaspiro[5.6]dodecane (CID 79321593) is 9-propan-2-yl-5-propyl-3-azaspiro[5.6]dodecane.
What is the SMILES notation for 9-propan-2-yl-5-propyl-3-azaspiro[5.6]dodecane?
The canonical SMILES for 9-propan-2-yl-5-propyl-3-azaspiro[5.6]dodecane is CCCC1CNCCC12CCCC(C(C)C)CC2.
What is the InChIKey of 9-propan-2-yl-5-propyl-3-azaspiro[5.6]dodecane?
The InChIKey is VXMWIVFLNBJHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-4-6-16-13-18-12-11-17(16)9-5-7-15(8-10-17)14(2)3/h14-16,18H,4-13H2,1-3H3.
What are the key properties of 9-propan-2-yl-5-propyl-3-azaspiro[5.6]dodecane?
9-propan-2-yl-5-propyl-3-azaspiro[5.6]dodecane has a molecular weight of 251.46 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propan-2-yl-5-propyl-3-azaspiro[5.6]dodecane is sourced from PubChem (CID 79321593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).