3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;ethane

C18H37N — CID 154680928

IUPAC3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;ethane
SMILESCC.CC(C)C1CCC2(CC1)CCN(C(C)C)CC2
InChIInChI=1S/C16H31N.C2H6/c1-13(2)15-5-7-16(8-6-15)9-11-17(12-10-16)14(3)4;1-2/h13-15H,5-12H2,1-4H3;1-2H3
InChIKeyDWNMFIRWAHUPNK-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.35
Rot. Bonds2

About 3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;ethane

3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;ethane (PubChem CID 154680928) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is 3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;ethane.

Molecular Properties

Compound Name3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;ethane
PubChem CID154680928
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;ethane
SMILESCC.CC(C)C1CCC2(CC1)CCN(C(C)C)CC2
InChIInChI=1S/C16H31N.C2H6/c1-13(2)15-5-7-16(8-6-15)9-11-17(12-10-16)14(3)4;1-2/h13-15H,5-12H2,1-4H3;1-2H3
InChIKeyDWNMFIRWAHUPNK-UHFFFAOYSA-N
XLogP5.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine
CID 171508943
9-ethyl-3-propan-2-yl-3-azaspiro[5.5]undecane
CID 155034031
2,8-di(propan-2-yl)-8-azaspiro[3.6]decane
CID 170522762
1,4-di(propan-2-yl)piperidine
CID 21303253
(6R)-2,6-di(propan-2-yl)-2-azaspiro[3.4]octane
CID 167272832
8-(difluoromethyl)-3-propan-2-yl-8-azaspiro[4.5]decane
CID 169125674
N-ethyl-3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine
CID 177228251
7-propan-2-yl-2-(3-propan-2-ylpiperidin-1-yl)-7-azaspiro[3.5]nonane
CID 167091313
3-(azetidin-3-ylmethyl)-9-propan-2-yl-3-azaspiro[5.5]undecane
CID 176984971
propan-2-one;6-propan-2-yl-6-azaspiro[2.5]octane
CID 170791695
butane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;ethane
CID 168928365
ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane
CID 163266549

Frequently Asked Questions

What is the IUPAC name of 3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;ethane?
The IUPAC name of 3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;ethane (CID 154680928) is 3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;ethane.
What is the SMILES notation for 3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;ethane?
The canonical SMILES for 3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;ethane is CC.CC(C)C1CCC2(CC1)CCN(C(C)C)CC2.
What is the InChIKey of 3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;ethane?
The InChIKey is DWNMFIRWAHUPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N.C2H6/c1-13(2)15-5-7-16(8-6-15)9-11-17(12-10-16)14(3)4;1-2/h13-15H,5-12H2,1-4H3;1-2H3.
What are the key properties of 3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;ethane?
3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;ethane has a molecular weight of 267.50 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;ethane is sourced from PubChem (CID 154680928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).