7-methyl-2-(2-propylpentyl)-2,7-diazaspiro[3.5]nonane

C16H32N2 — CID 171656992

IUPAC7-methyl-2-(2-propylpentyl)-2,7-diazaspiro[3.5]nonane
SMILESCCCC(CCC)CN1CC2(CCN(C)CC2)C1
InChIInChI=1S/C16H32N2/c1-4-6-15(7-5-2)12-18-13-16(14-18)8-10-17(3)11-9-16/h15H,4-14H2,1-3H3
InChIKeyHKESNRGUCGRLEG-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.23
Rot. Bonds6

About 7-methyl-2-(2-propylpentyl)-2,7-diazaspiro[3.5]nonane

7-methyl-2-(2-propylpentyl)-2,7-diazaspiro[3.5]nonane (PubChem CID 171656992) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 7-methyl-2-(2-propylpentyl)-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-methyl-2-(2-propylpentyl)-2,7-diazaspiro[3.5]nonane
PubChem CID171656992
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name7-methyl-2-(2-propylpentyl)-2,7-diazaspiro[3.5]nonane
SMILESCCCC(CCC)CN1CC2(CCN(C)CC2)C1
InChIInChI=1S/C16H32N2/c1-4-6-15(7-5-2)12-18-13-16(14-18)8-10-17(3)11-9-16/h15H,4-14H2,1-3H3
InChIKeyHKESNRGUCGRLEG-UHFFFAOYSA-N
XLogP3.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)hexan-1-ol
CID 106116977
3,3-dimethyl-1-(2-propylpentyl)pyrrolidine
CID 123859198
2-(2-azaspiro[4.5]decan-2-ylmethyl)pentane-1-thiol
CID 114279629
1-methyl-4-[(Z)-2-propylnon-5-enyl]piperazine
CID 174290244
2-(8-azaspiro[4.5]decan-8-ylmethyl)pentan-1-amine
CID 65233266
9-methyl-3-(2-methylhexyl)-3,9-diazaspiro[5.5]undecane
CID 170250361
7-methyl-2-[(1-propan-2-ylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 174168118
9-methyl-2-pentan-2-yl-2,9-diazaspiro[5.5]undecane
CID 126759798
2-ethyl-7-methyl-2,7-diazaspiro[3.4]octane
CID 59304538
1-(2-ethylpentyl)-3,3-difluoropyrrolidine
CID 130419412
3-(2,2-difluoroethyl)-9-methyl-3,9-diazaspiro[5.5]undecane
CID 159839871
2,7-dimethyl-2,7-diazaspiro[4.4]nonane;ethane
CID 144510455

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(2-propylpentyl)-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 7-methyl-2-(2-propylpentyl)-2,7-diazaspiro[3.5]nonane (CID 171656992) is 7-methyl-2-(2-propylpentyl)-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-methyl-2-(2-propylpentyl)-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 7-methyl-2-(2-propylpentyl)-2,7-diazaspiro[3.5]nonane is CCCC(CCC)CN1CC2(CCN(C)CC2)C1.
What is the InChIKey of 7-methyl-2-(2-propylpentyl)-2,7-diazaspiro[3.5]nonane?
The InChIKey is HKESNRGUCGRLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-6-15(7-5-2)12-18-13-16(14-18)8-10-17(3)11-9-16/h15H,4-14H2,1-3H3.
What are the key properties of 7-methyl-2-(2-propylpentyl)-2,7-diazaspiro[3.5]nonane?
7-methyl-2-(2-propylpentyl)-2,7-diazaspiro[3.5]nonane has a molecular weight of 252.45 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(2-propylpentyl)-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 171656992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).