3,9-bis(2-methylpropyl)-7-azaspiro[3.5]nonane

C16H31N — CID 170056384

IUPAC3,9-bis(2-methylpropyl)-7-azaspiro[3.5]nonane
SMILESCC(C)CC1CCC12CCNCC2CC(C)C
InChIInChI=1S/C16H31N/c1-12(2)9-14-5-6-16(14)7-8-17-11-15(16)10-13(3)4/h12-15,17H,5-11H2,1-4H3
InChIKeyYXMZCPQJLZGEOK-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.08
Rot. Bonds4

About 3,9-bis(2-methylpropyl)-7-azaspiro[3.5]nonane

3,9-bis(2-methylpropyl)-7-azaspiro[3.5]nonane (PubChem CID 170056384) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 3,9-bis(2-methylpropyl)-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name3,9-bis(2-methylpropyl)-7-azaspiro[3.5]nonane
PubChem CID170056384
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name3,9-bis(2-methylpropyl)-7-azaspiro[3.5]nonane
SMILESCC(C)CC1CCC12CCNCC2CC(C)C
InChIInChI=1S/C16H31N/c1-12(2)9-14-5-6-16(14)7-8-17-11-15(16)10-13(3)4/h12-15,17H,5-11H2,1-4H3
InChIKeyYXMZCPQJLZGEOK-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-3-(2-methylpropyl)-4-propan-2-ylpiperidine
CID 79321482
4-ethyl-4-(2-methylbutyl)-3-(2-methylpropyl)piperidine
CID 79320802
9-methyl-5-(2-methylpropyl)-3-azaspiro[5.6]dodecane
CID 79320901
3-methyl-11-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane
CID 79321099
4,4-dimethyl-10-(2-methylpropyl)-8-azaspiro[4.5]decane
CID 79863112
7-(2-methylpropyl)-2-azaspiro[3.3]heptane
CID 155087784
2-(2-methylpropyl)-6-azaspiro[2.5]octane
CID 115013358
9-methyl-5-(2-methylpropyl)-3,9-diazaspiro[5.6]dodecane
CID 79320211
1,1-dimethyl-2-(2-methylpropyl)cyclobutane
CID 123767451
5-ethyl-10-(2-methylpropyl)-3-azaspiro[5.5]undecane
CID 107430646
3'-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]
CID 79321001
7-(2-methylpropyl)-4-azaspiro[2.4]heptane
CID 105429980

Frequently Asked Questions

What is the IUPAC name of 3,9-bis(2-methylpropyl)-7-azaspiro[3.5]nonane?
The IUPAC name of 3,9-bis(2-methylpropyl)-7-azaspiro[3.5]nonane (CID 170056384) is 3,9-bis(2-methylpropyl)-7-azaspiro[3.5]nonane.
What is the SMILES notation for 3,9-bis(2-methylpropyl)-7-azaspiro[3.5]nonane?
The canonical SMILES for 3,9-bis(2-methylpropyl)-7-azaspiro[3.5]nonane is CC(C)CC1CCC12CCNCC2CC(C)C.
What is the InChIKey of 3,9-bis(2-methylpropyl)-7-azaspiro[3.5]nonane?
The InChIKey is YXMZCPQJLZGEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-12(2)9-14-5-6-16(14)7-8-17-11-15(16)10-13(3)4/h12-15,17H,5-11H2,1-4H3.
What are the key properties of 3,9-bis(2-methylpropyl)-7-azaspiro[3.5]nonane?
3,9-bis(2-methylpropyl)-7-azaspiro[3.5]nonane has a molecular weight of 237.43 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-bis(2-methylpropyl)-7-azaspiro[3.5]nonane is sourced from PubChem (CID 170056384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).