3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine

C13H26N2 — CID 171508943

IUPAC3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine
SMILESCC(C)N1CCC2(CCC(N)CC2)CC1
InChIInChI=1S/C13H26N2/c1-11(2)15-9-7-13(8-10-15)5-3-12(14)4-6-13/h11-12H,3-10,14H2,1-2H3
InChIKeyLNKONSQHEBKZJK-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.38
Rot. Bonds1

About 3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine

3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine (PubChem CID 171508943) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine.

Molecular Properties

Compound Name3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine
PubChem CID171508943
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine
SMILESCC(C)N1CCC2(CCC(N)CC2)CC1
InChIInChI=1S/C13H26N2/c1-11(2)15-9-7-13(8-10-15)5-3-12(14)4-6-13/h11-12H,3-10,14H2,1-2H3
InChIKeyLNKONSQHEBKZJK-UHFFFAOYSA-N
XLogP2.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-ethyl-3-propan-2-yl-3-azaspiro[5.5]undecane
CID 155034031
3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;ethane
CID 154680928
3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155184308
(3R)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-3-amine
CID 176563534
N-ethyl-3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine
CID 177228251
2-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)-1-pyrrolidin-1-ylethanone
CID 155880003
propan-2-one;6-propan-2-yl-6-azaspiro[2.5]octane
CID 170791695
N,N-dimethyl-8-propan-2-yl-8-azaspiro[4.5]decan-3-amine
CID 170387550
3-propan-2-yl-9-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155702525
8-methyl-2-propan-2-yl-2-azaspiro[4.5]decane
CID 146509979
4-iodo-1-propan-2-ylpiperidin-4-amine
CID 155455763
9-methyl-6-propan-2-yl-6-azaspiro[2.6]nonane
CID 156876196

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine?
The IUPAC name of 3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine (CID 171508943) is 3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine.
What is the SMILES notation for 3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine?
The canonical SMILES for 3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine is CC(C)N1CCC2(CCC(N)CC2)CC1.
What is the InChIKey of 3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine?
The InChIKey is LNKONSQHEBKZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-11(2)15-9-7-13(8-10-15)5-3-12(14)4-6-13/h11-12H,3-10,14H2,1-2H3.
What are the key properties of 3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine?
3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine has a molecular weight of 210.36 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine is sourced from PubChem (CID 171508943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).