7-(4-butan-2-ylcyclohexyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane

C20H38N2 — CID 176983528

IUPAC7-(4-butan-2-ylcyclohexyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane
SMILESCCC(C)C1CCC(N2CCC3(CC2)CN(C(C)C)C3)CC1
InChIInChI=1S/C20H38N2/c1-5-17(4)18-6-8-19(9-7-18)21-12-10-20(11-13-21)14-22(15-20)16(2)3/h16-19H,5-15H2,1-4H3
InChIKeyISIAHXHMPJMVGY-UHFFFAOYSA-N
MW306.54 g/mol
LogP4.40
Rot. Bonds4

About 7-(4-butan-2-ylcyclohexyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane

7-(4-butan-2-ylcyclohexyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane (PubChem CID 176983528) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is 7-(4-butan-2-ylcyclohexyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-(4-butan-2-ylcyclohexyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane
PubChem CID176983528
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC Name7-(4-butan-2-ylcyclohexyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane
SMILESCCC(C)C1CCC(N2CCC3(CC2)CN(C(C)C)C3)CC1
InChIInChI=1S/C20H38N2/c1-5-17(4)18-6-8-19(9-7-18)21-12-10-20(11-13-21)14-22(15-20)16(2)3/h16-19H,5-15H2,1-4H3
InChIKeyISIAHXHMPJMVGY-UHFFFAOYSA-N
XLogP4.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.54
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-cyclohexyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;ethene
CID 176984351
1-(4-butan-2-ylcyclohexyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170953915
2-propan-2-yl-6-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-2-azaspiro[3.3]heptane
CID 168786044
2-propan-2-yl-7-(1-propan-2-ylpyrrolidin-3-yl)-2,7-diazaspiro[3.4]octane
CID 167417537
2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-amine
CID 134436171
2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane
CID 163848476
2-butan-2-yl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 170952212
7-propan-2-yl-2-[[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methyl]-2,7-diazaspiro[3.5]nonane
CID 176568917
ethane;2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone;2-propan-2-yl-7-(4-propan-2-ylpiperidin-1-yl)-2-azaspiro[3.5]nonane
CID 177011025
ethane;1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)piperazine
CID 171508742
2,8-di(propan-2-yl)-2-azaspiro[3.7]undecane
CID 170930119
1-cyclopropyl-4-propan-2-ylpiperazine
CID 59855791

Frequently Asked Questions

What is the IUPAC name of 7-(4-butan-2-ylcyclohexyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 7-(4-butan-2-ylcyclohexyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane (CID 176983528) is 7-(4-butan-2-ylcyclohexyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-(4-butan-2-ylcyclohexyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 7-(4-butan-2-ylcyclohexyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane is CCC(C)C1CCC(N2CCC3(CC2)CN(C(C)C)C3)CC1.
What is the InChIKey of 7-(4-butan-2-ylcyclohexyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane?
The InChIKey is ISIAHXHMPJMVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2/c1-5-17(4)18-6-8-19(9-7-18)21-12-10-20(11-13-21)14-22(15-20)16(2)3/h16-19H,5-15H2,1-4H3.
What are the key properties of 7-(4-butan-2-ylcyclohexyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane?
7-(4-butan-2-ylcyclohexyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane has a molecular weight of 306.54 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-butan-2-ylcyclohexyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 176983528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).