4-(5-methylhexan-2-yl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane

C19H38N2 — CID 64939492

IUPAC4-(5-methylhexan-2-yl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
SMILESCC(C)CCC(C)N1CC2(CCCCC2)NCC1C(C)C
InChIInChI=1S/C19H38N2/c1-15(2)9-10-17(5)21-14-19(11-7-6-8-12-19)20-13-18(21)16(3)4/h15-18,20H,6-14H2,1-5H3
InChIKeyMATJPLHSFXYCBO-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.44
Rot. Bonds5

About 4-(5-methylhexan-2-yl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane

4-(5-methylhexan-2-yl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane (PubChem CID 64939492) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 4-(5-methylhexan-2-yl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(5-methylhexan-2-yl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
PubChem CID64939492
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name4-(5-methylhexan-2-yl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
SMILESCC(C)CCC(C)N1CC2(CCCCC2)NCC1C(C)C
InChIInChI=1S/C19H38N2/c1-15(2)9-10-17(5)21-14-19(11-7-6-8-12-19)20-13-18(21)16(3)4/h15-18,20H,6-14H2,1-5H3
InChIKeyMATJPLHSFXYCBO-UHFFFAOYSA-N
XLogP4.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-octan-2-yl-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64947217
9-(1-ethoxypropan-2-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64947120
9-(1-methylsulfonylpropan-2-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64940325
5,5-diethyl-1-(5-methylhexan-2-yl)-2-propan-2-ylpiperazine
CID 64942395
9-(5-methylhexyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 115327089
3-butan-2-yl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane
CID 64877619
8-ethyl-9-pentan-2-yl-6,9-diazaspiro[4.5]decane
CID 64930793
4-cycloheptyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64934612
3-methyl-4-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64877989
8-propan-2-yl-9-(2,2,3,3-tetramethylcyclopropyl)-6,9-diazaspiro[4.5]decane
CID 79350195
9-(2-methylbutyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64878139
9-(3-methylpentan-3-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 106329736

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylhexan-2-yl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-(5-methylhexan-2-yl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane (CID 64939492) is 4-(5-methylhexan-2-yl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(5-methylhexan-2-yl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(5-methylhexan-2-yl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane is CC(C)CCC(C)N1CC2(CCCCC2)NCC1C(C)C.
What is the InChIKey of 4-(5-methylhexan-2-yl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The InChIKey is MATJPLHSFXYCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-15(2)9-10-17(5)21-14-19(11-7-6-8-12-19)20-13-18(21)16(3)4/h15-18,20H,6-14H2,1-5H3.
What are the key properties of 4-(5-methylhexan-2-yl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
4-(5-methylhexan-2-yl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane has a molecular weight of 294.53 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylhexan-2-yl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64939492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).