7-(3-methylbutan-2-yl)-3-propan-2-yl-7-azaspiro[3.5]nonane

C16H31N — CID 166925892

IUPAC7-(3-methylbutan-2-yl)-3-propan-2-yl-7-azaspiro[3.5]nonane
SMILESCC(C)C(C)N1CCC2(CCC2C(C)C)CC1
InChIInChI=1S/C16H31N/c1-12(2)14(5)17-10-8-16(9-11-17)7-6-15(16)13(3)4/h12-15H,6-11H2,1-5H3
InChIKeyJDZMKMXZLNEBMR-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.18
Rot. Bonds3

About 7-(3-methylbutan-2-yl)-3-propan-2-yl-7-azaspiro[3.5]nonane

7-(3-methylbutan-2-yl)-3-propan-2-yl-7-azaspiro[3.5]nonane (PubChem CID 166925892) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 7-(3-methylbutan-2-yl)-3-propan-2-yl-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-(3-methylbutan-2-yl)-3-propan-2-yl-7-azaspiro[3.5]nonane
PubChem CID166925892
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name7-(3-methylbutan-2-yl)-3-propan-2-yl-7-azaspiro[3.5]nonane
SMILESCC(C)C(C)N1CCC2(CCC2C(C)C)CC1
InChIInChI=1S/C16H31N/c1-12(2)14(5)17-10-8-16(9-11-17)7-6-15(16)13(3)4/h12-15H,6-11H2,1-5H3
InChIKeyJDZMKMXZLNEBMR-UHFFFAOYSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-propan-2-ylspiro[2.4]heptane
CID 154526076
8-propan-2-yl-5-azaspiro[2.5]octan-5-amine
CID 174305339
5-iodo-8-propan-2-yl-5-azaspiro[2.5]octane
CID 129299271
9-propan-2-ylspiro[3.5]nonane
CID 140652255
1-cyclopropyl-4-(3-methylbutan-2-yl)piperazine
CID 138669145
[7-(3-methylbutan-2-yl)-7-azaspiro[3.5]nonan-2-yl]methanamine
CID 170008782
ethane;1-(3-methylbutan-2-yl)pyrrolidine
CID 178106115
4-(1-bromoethyl)-1-(3-methylbutan-2-yl)piperidine
CID 130663265
9-methyl-6-propan-2-yl-6-azaspiro[2.6]nonane
CID 156876196
1-[(3S)-3-methyl-6-azaspiro[3.4]octan-6-yl]ethanethiol
CID 130223482
(4S)-3-fluoro-8-propan-2-yl-8-azaspiro[4.5]decan-4-amine
CID 146477423
1,1-dimethyl-2-propan-2-ylcyclopentane
CID 23384810

Frequently Asked Questions

What is the IUPAC name of 7-(3-methylbutan-2-yl)-3-propan-2-yl-7-azaspiro[3.5]nonane?
The IUPAC name of 7-(3-methylbutan-2-yl)-3-propan-2-yl-7-azaspiro[3.5]nonane (CID 166925892) is 7-(3-methylbutan-2-yl)-3-propan-2-yl-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-(3-methylbutan-2-yl)-3-propan-2-yl-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-(3-methylbutan-2-yl)-3-propan-2-yl-7-azaspiro[3.5]nonane is CC(C)C(C)N1CCC2(CCC2C(C)C)CC1.
What is the InChIKey of 7-(3-methylbutan-2-yl)-3-propan-2-yl-7-azaspiro[3.5]nonane?
The InChIKey is JDZMKMXZLNEBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-12(2)14(5)17-10-8-16(9-11-17)7-6-15(16)13(3)4/h12-15H,6-11H2,1-5H3.
What are the key properties of 7-(3-methylbutan-2-yl)-3-propan-2-yl-7-azaspiro[3.5]nonane?
7-(3-methylbutan-2-yl)-3-propan-2-yl-7-azaspiro[3.5]nonane has a molecular weight of 237.43 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methylbutan-2-yl)-3-propan-2-yl-7-azaspiro[3.5]nonane is sourced from PubChem (CID 166925892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).