4-(1-cyclopropylbutan-2-yl)-3-methyl-1,4-diazaspiro[5.5]undecane

C17H32N2 — CID 64940472

IUPAC4-(1-cyclopropylbutan-2-yl)-3-methyl-1,4-diazaspiro[5.5]undecane
SMILESCCC(CC1CC1)N1CC2(CCCCC2)NCC1C
InChIInChI=1S/C17H32N2/c1-3-16(11-15-7-8-15)19-13-17(18-12-14(19)2)9-5-4-6-10-17/h14-16,18H,3-13H2,1-2H3
InChIKeyXJXKYCMVAGKJSO-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.56
Rot. Bonds4

About 4-(1-cyclopropylbutan-2-yl)-3-methyl-1,4-diazaspiro[5.5]undecane

4-(1-cyclopropylbutan-2-yl)-3-methyl-1,4-diazaspiro[5.5]undecane (PubChem CID 64940472) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 4-(1-cyclopropylbutan-2-yl)-3-methyl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(1-cyclopropylbutan-2-yl)-3-methyl-1,4-diazaspiro[5.5]undecane
PubChem CID64940472
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name4-(1-cyclopropylbutan-2-yl)-3-methyl-1,4-diazaspiro[5.5]undecane
SMILESCCC(CC1CC1)N1CC2(CCCCC2)NCC1C
InChIInChI=1S/C17H32N2/c1-3-16(11-15-7-8-15)19-13-17(18-12-14(19)2)9-5-4-6-10-17/h14-16,18H,3-13H2,1-2H3
InChIKeyXJXKYCMVAGKJSO-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-ethylpentan-2-yl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64941030
3-methyl-4-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64877989
8-methyl-9-(2-methylpentan-3-yl)-6,9-diazaspiro[4.5]decane
CID 64947965
8-methyl-9-octan-4-yl-6,9-diazaspiro[4.5]decane
CID 106027228
9-(1-cyclopropylethyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64934634
9-(1-cyclopropylbutan-2-yl)-6,9-diazaspiro[4.5]decane
CID 64952028
1-(1-cyclopropylbutan-2-yl)-2,5-dimethyl-5-phenylpiperazine
CID 64941245
3-ethyl-4-hexan-3-yl-1,4-diazaspiro[5.5]undecane
CID 64945645
9-ethyl-8-methyl-6,9-diazaspiro[4.5]decane
CID 64877161
1-(1-cyclopropylbutan-2-yl)-2,5-dimethylpiperazine
CID 64936477
3-methyl-4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 64877798
3-butan-2-yl-4-(cyclopropylmethyl)-1,4-diazaspiro[5.5]undecane
CID 64877428

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylbutan-2-yl)-3-methyl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-(1-cyclopropylbutan-2-yl)-3-methyl-1,4-diazaspiro[5.5]undecane (CID 64940472) is 4-(1-cyclopropylbutan-2-yl)-3-methyl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(1-cyclopropylbutan-2-yl)-3-methyl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(1-cyclopropylbutan-2-yl)-3-methyl-1,4-diazaspiro[5.5]undecane is CCC(CC1CC1)N1CC2(CCCCC2)NCC1C.
What is the InChIKey of 4-(1-cyclopropylbutan-2-yl)-3-methyl-1,4-diazaspiro[5.5]undecane?
The InChIKey is XJXKYCMVAGKJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-3-16(11-15-7-8-15)19-13-17(18-12-14(19)2)9-5-4-6-10-17/h14-16,18H,3-13H2,1-2H3.
What are the key properties of 4-(1-cyclopropylbutan-2-yl)-3-methyl-1,4-diazaspiro[5.5]undecane?
4-(1-cyclopropylbutan-2-yl)-3-methyl-1,4-diazaspiro[5.5]undecane has a molecular weight of 264.46 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylbutan-2-yl)-3-methyl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64940472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).