ethane;3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane

C12H25N — CID 166462217

IUPACethane;3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane
SMILESCC.CC1CC2CC(C1)N2C(C)C
InChIInChI=1S/C10H19N.C2H6/c1-7(2)11-9-4-8(3)5-10(11)6-9;1-2/h7-10H,4-6H2,1-3H3;1-2H3
InChIKeyCCZFIUTXESJAFX-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.29
Rot. Bonds1

About ethane;3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane

ethane;3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane (PubChem CID 166462217) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is ethane;3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Nameethane;3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane
PubChem CID166462217
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Nameethane;3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane
SMILESCC.CC1CC2CC(C1)N2C(C)C
InChIInChI=1S/C10H19N.C2H6/c1-7(2)11-9-4-8(3)5-10(11)6-9;1-2/h7-10H,4-6H2,1-3H3;1-2H3
InChIKeyCCZFIUTXESJAFX-UHFFFAOYSA-N
XLogP3.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane
CID 147755667
ethane;(6-propan-2-yl-6-azabicyclo[3.1.1]heptan-3-yl)phosphane
CID 177325541
7-methyl-9-azatricyclo[3.3.1.03,9]nonane
CID 59882553
3-butan-2-yl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane
CID 154672226
(5R)-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-amine
CID 155418933
(2R,5R)-2,5-dimethyl-1-propan-2-ylpyrrolidine
CID 58977160
6-propan-2-yl-3-(trideuteriomethyl)-3,6-diazabicyclo[3.1.1]heptane
CID 170689591
4-isocyano-7-propan-2-yl-3-oxa-7-azabicyclo[4.1.1]octane
CID 176594387
10-propan-2-yl-10-azabicyclo[4.3.1]decane
CID 58967881
(2R,6R)-2,6-dimethyl-1-propan-2-ylpiperidine
CID 130875650
7-methyl-2-propan-2-yl-2-azabicyclo[3.3.1]nonane
CID 174363845
8,10-di(propan-2-yl)-10-azabicyclo[4.3.1]decane
CID 59450891

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane?
The IUPAC name of ethane;3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane (CID 166462217) is ethane;3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane.
What is the SMILES notation for ethane;3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane?
The canonical SMILES for ethane;3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane is CC.CC1CC2CC(C1)N2C(C)C.
What is the InChIKey of ethane;3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane?
The InChIKey is CCZFIUTXESJAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.C2H6/c1-7(2)11-9-4-8(3)5-10(11)6-9;1-2/h7-10H,4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane?
ethane;3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane has a molecular weight of 183.34 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 166462217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).