2-(2,4-dimethylpentan-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine

C12H24N2 — CID 130820042

IUPAC2-(2,4-dimethylpentan-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine
SMILESCC(C)C(C(C)C)N1CC2CC1C2N
InChIInChI=1S/C12H24N2/c1-7(2)12(8(3)4)14-6-9-5-10(14)11(9)13/h7-12H,5-6,13H2,1-4H3
InChIKeyODRHHRNIXGNJPF-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.70
Rot. Bonds3

About 2-(2,4-dimethylpentan-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine

2-(2,4-dimethylpentan-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine (PubChem CID 130820042) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 2-(2,4-dimethylpentan-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine.

Molecular Properties

Compound Name2-(2,4-dimethylpentan-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine
PubChem CID130820042
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name2-(2,4-dimethylpentan-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine
SMILESCC(C)C(C(C)C)N1CC2CC1C2N
InChIInChI=1S/C12H24N2/c1-7(2)12(8(3)4)14-6-9-5-10(14)11(9)13/h7-12H,5-6,13H2,1-4H3
InChIKeyODRHHRNIXGNJPF-UHFFFAOYSA-N
XLogP1.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-amino-2-azabicyclo[2.1.1]hexan-2-yl)-N-methylpropanamide
CID 130874740
(1S,5S,8S)-6-propan-2-yl-6-azabicyclo[3.2.1]octan-8-amine
CID 164821495
1-(5-amino-2-azabicyclo[2.1.1]hexan-2-yl)-2-methoxypropan-1-one
CID 131015209
6-propan-2-yl-6-azatricyclo[3.2.1.02,4]octane
CID 171591162
(1R,4R)-N-methyl-2-propan-2-yl-2-azabicyclo[2.1.1]hexan-5-amine
CID 172546338
2-(1,5-dimethylpyrrolidin-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine
CID 130961406
(1S,5S,6R,7R)-3-azatricyclo[3.3.1.03,7]nonan-6-amine
CID 131849177
(5-amino-2-azabicyclo[2.1.1]hexan-2-yl)-(3-methylcyclobutyl)methanone
CID 164652443
5-methyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane
CID 130224407
tert-butyl (4R)-5-amino-2-azabicyclo[2.1.1]hexane-2-carboxylate
CID 131091392
(1S,6R)-2-propan-2-yl-2-azabicyclo[2.2.1]heptan-6-amine
CID 155648652
2-propan-2-yl-2-azabicyclo[2.2.1]heptan-6-amine
CID 129231151

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpentan-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine?
The IUPAC name of 2-(2,4-dimethylpentan-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine (CID 130820042) is 2-(2,4-dimethylpentan-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine.
What is the SMILES notation for 2-(2,4-dimethylpentan-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine?
The canonical SMILES for 2-(2,4-dimethylpentan-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine is CC(C)C(C(C)C)N1CC2CC1C2N.
What is the InChIKey of 2-(2,4-dimethylpentan-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine?
The InChIKey is ODRHHRNIXGNJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-7(2)12(8(3)4)14-6-9-5-10(14)11(9)13/h7-12H,5-6,13H2,1-4H3.
What are the key properties of 2-(2,4-dimethylpentan-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine?
2-(2,4-dimethylpentan-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine has a molecular weight of 196.34 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpentan-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine is sourced from PubChem (CID 130820042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).