(3S)-2-methyl-3-propan-2-yl-2-azaspiro[5.5]undecane

C14H27N — CID 164942032

IUPAC(3S)-2-methyl-3-propan-2-yl-2-azaspiro[5.5]undecane
SMILESCC(C)[C@@H]1CCC2(CCCCC2)CN1C
InChIInChI=1S/C14H27N/c1-12(2)13-7-10-14(11-15(13)3)8-5-4-6-9-14/h12-13H,4-11H2,1-3H3/t13-/m0/s1
InChIKeyYHJWCDUZEMPKSV-ZDUSSCGKSA-N
MW209.38 g/mol
LogP3.69
Rot. Bonds1

About (3S)-2-methyl-3-propan-2-yl-2-azaspiro[5.5]undecane

(3S)-2-methyl-3-propan-2-yl-2-azaspiro[5.5]undecane (PubChem CID 164942032) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is (3S)-2-methyl-3-propan-2-yl-2-azaspiro[5.5]undecane.

Molecular Properties

Compound Name(3S)-2-methyl-3-propan-2-yl-2-azaspiro[5.5]undecane
PubChem CID164942032
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name(3S)-2-methyl-3-propan-2-yl-2-azaspiro[5.5]undecane
SMILESCC(C)[C@@H]1CCC2(CCCCC2)CN1C
InChIInChI=1S/C14H27N/c1-12(2)13-7-10-14(11-15(13)3)8-5-4-6-9-14/h12-13H,4-11H2,1-3H3/t13-/m0/s1
InChIKeyYHJWCDUZEMPKSV-ZDUSSCGKSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-6-propan-2-yl-5-azaspiro[2.5]octane
CID 149057571
(3S)-2-methyl-3-propan-2-yl-2-azaspiro[4.5]decane
CID 164942004
2,3-di(propan-2-yl)-2-azaspiro[4.5]decane
CID 171608743
2-iodo-3-propan-2-yl-2-azaspiro[4.5]decane
CID 166749395
1-methyl-2-propan-2-ylazetidine
CID 23588958
3-(1-chloroethyl)spiro[5.5]undecane
CID 58073632
8,9-di(propan-2-yl)spiro[4.5]decane
CID 140631430
(2R)-1-methyl-2-propan-2-ylaziridine
CID 140882357
ethane;2-propan-2-yl-2-azaspiro[4.5]decane
CID 144877753
ethane;2-methyl-2-azaspiro[3.6]decane
CID 90761663
3-methylspiro[5.6]dodecane
CID 143797283
CID 175625880
CID 175625880

Frequently Asked Questions

What is the IUPAC name of (3S)-2-methyl-3-propan-2-yl-2-azaspiro[5.5]undecane?
The IUPAC name of (3S)-2-methyl-3-propan-2-yl-2-azaspiro[5.5]undecane (CID 164942032) is (3S)-2-methyl-3-propan-2-yl-2-azaspiro[5.5]undecane.
What is the SMILES notation for (3S)-2-methyl-3-propan-2-yl-2-azaspiro[5.5]undecane?
The canonical SMILES for (3S)-2-methyl-3-propan-2-yl-2-azaspiro[5.5]undecane is CC(C)[C@@H]1CCC2(CCCCC2)CN1C.
What is the InChIKey of (3S)-2-methyl-3-propan-2-yl-2-azaspiro[5.5]undecane?
The InChIKey is YHJWCDUZEMPKSV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H27N/c1-12(2)13-7-10-14(11-15(13)3)8-5-4-6-9-14/h12-13H,4-11H2,1-3H3/t13-/m0/s1.
What are the key properties of (3S)-2-methyl-3-propan-2-yl-2-azaspiro[5.5]undecane?
(3S)-2-methyl-3-propan-2-yl-2-azaspiro[5.5]undecane has a molecular weight of 209.38 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-methyl-3-propan-2-yl-2-azaspiro[5.5]undecane is sourced from PubChem (CID 164942032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).