3-methylidene-7-propan-2-yl-2,7-diazaspiro[4.5]decane

C12H22N2 — CID 146640343

IUPAC3-methylidene-7-propan-2-yl-2,7-diazaspiro[4.5]decane
SMILESC=C1CC2(CCCN(C(C)C)C2)CN1
InChIInChI=1S/C12H22N2/c1-10(2)14-6-4-5-12(9-14)7-11(3)13-8-12/h10,13H,3-9H2,1-2H3
InChIKeySTZMGFLAOXCQIE-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.98
Rot. Bonds1

About 3-methylidene-7-propan-2-yl-2,7-diazaspiro[4.5]decane

3-methylidene-7-propan-2-yl-2,7-diazaspiro[4.5]decane (PubChem CID 146640343) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 3-methylidene-7-propan-2-yl-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name3-methylidene-7-propan-2-yl-2,7-diazaspiro[4.5]decane
PubChem CID146640343
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name3-methylidene-7-propan-2-yl-2,7-diazaspiro[4.5]decane
SMILESC=C1CC2(CCCN(C(C)C)C2)CN1
InChIInChI=1S/C12H22N2/c1-10(2)14-6-4-5-12(9-14)7-11(3)13-8-12/h10,13H,3-9H2,1-2H3
InChIKeySTZMGFLAOXCQIE-UHFFFAOYSA-N
XLogP1.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-Tert-butyl-5-methylidenepyrrolidine
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1-Methylidene-8-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 58546878
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CID 58547416
2,3-Ditert-butyl-5-methylidenepyrrolidine
CID 68259001
N,2,2-trimethyl-6-methylidenepiperidin-4-amine
CID 89127449
N-tert-butyl-2,2-dimethyl-6-methylidenepiperidin-4-amine
CID 89163269
N-butyl-N,2,2-trimethyl-6-methylidenepiperidin-4-amine
CID 89232093
N,1,2,2-tetramethyl-6-methylidenepiperidin-4-amine
CID 89320503
2,5,5-Trimethyl-4-(2-methylidenepyrrolidin-1-yl)heptan-2-amine
CID 123611869
1-(3-but-3-enyl-1-methylpyrrolidin-3-yl)-N-methylethenamine
CID 132131627

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-7-propan-2-yl-2,7-diazaspiro[4.5]decane?
The IUPAC name of 3-methylidene-7-propan-2-yl-2,7-diazaspiro[4.5]decane (CID 146640343) is 3-methylidene-7-propan-2-yl-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for 3-methylidene-7-propan-2-yl-2,7-diazaspiro[4.5]decane?
The canonical SMILES for 3-methylidene-7-propan-2-yl-2,7-diazaspiro[4.5]decane is C=C1CC2(CCCN(C(C)C)C2)CN1.
What is the InChIKey of 3-methylidene-7-propan-2-yl-2,7-diazaspiro[4.5]decane?
The InChIKey is STZMGFLAOXCQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-10(2)14-6-4-5-12(9-14)7-11(3)13-8-12/h10,13H,3-9H2,1-2H3.
What are the key properties of 3-methylidene-7-propan-2-yl-2,7-diazaspiro[4.5]decane?
3-methylidene-7-propan-2-yl-2,7-diazaspiro[4.5]decane has a molecular weight of 194.32 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-7-propan-2-yl-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 146640343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).