N,2-dimethyl-2-azabicyclo[2.1.1]hexan-5-amine;molecular hydrogen;sulfane

C7H18N2S — CID 178011671

IUPACN,2-dimethyl-2-azabicyclo[2.1.1]hexan-5-amine;molecular hydrogen;sulfane
SMILESCNC1C2CC1N(C)C2.S.[H][H]
InChIInChI=1S/C7H14N2.H2S.H2/c1-8-7-5-3-6(7)9(2)4-5;;/h5-8H,3-4H2,1-2H3;1H2;1H
InChIKeyVAXZEUUVTXCILK-UHFFFAOYSA-N
MW162.30 g/mol
LogP0.27
Rot. Bonds1

About N,2-dimethyl-2-azabicyclo[2.1.1]hexan-5-amine;molecular hydrogen;sulfane

N,2-dimethyl-2-azabicyclo[2.1.1]hexan-5-amine;molecular hydrogen;sulfane (PubChem CID 178011671) has the molecular formula C7H18N2S and a molecular weight of 162.30 g/mol. Its IUPAC name is N,2-dimethyl-2-azabicyclo[2.1.1]hexan-5-amine;molecular hydrogen;sulfane.

Molecular Properties

Compound NameN,2-dimethyl-2-azabicyclo[2.1.1]hexan-5-amine;molecular hydrogen;sulfane
PubChem CID178011671
Molecular FormulaC7H18N2S
Molecular Weight162.30 g/mol
Exact Mass162.12
IUPAC NameN,2-dimethyl-2-azabicyclo[2.1.1]hexan-5-amine;molecular hydrogen;sulfane
SMILESCNC1C2CC1N(C)C2.S.[H][H]
InChIInChI=1S/C7H14N2.H2S.H2/c1-8-7-5-3-6(7)9(2)4-5;;/h5-8H,3-4H2,1-2H3;1H2;1H
InChIKeyVAXZEUUVTXCILK-UHFFFAOYSA-N
XLogP0.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,4R)-N-methyl-2-propan-2-yl-2-azabicyclo[2.1.1]hexan-5-amine
CID 172546338
(1S,5R,8R)-6-methyl-6-azatricyclo[3.2.1.03,8]octane
CID 129230068
2-methyl-5-propan-2-yl-2-azabicyclo[2.1.1]hexane
CID 174197326
2-methyl-2-azabicyclo[2.1.1]hexane-5-carboxylic acid
CID 130916638
N-methyl-1-azatricyclo[3.3.1.13,7]decan-4-amine
CID 67501119
3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane;ethane
CID 144525202
N,2-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 59398149
N,3,7-trimethyl-3-azabicyclo[3.3.1]nonan-2-amine
CID 166455684
2-[(6-methoxy-2-methyl-2-azabicyclo[2.2.1]heptan-7-yl)amino]acetonitrile
CID 166764053
2-[5-(1,3-dimethylpyrrolidin-2-yl)-1-methylpyrrolidin-2-yl]-3-methyl-3-azabicyclo[3.1.0]hexane
CID 167217826
(5S)-N,3-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine
CID 167261950
3-methyl-3-azabicyclo[3.1.0]hexane;N-methylmethanamine
CID 142484502

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-azabicyclo[2.1.1]hexan-5-amine;molecular hydrogen;sulfane?
The IUPAC name of N,2-dimethyl-2-azabicyclo[2.1.1]hexan-5-amine;molecular hydrogen;sulfane (CID 178011671) is N,2-dimethyl-2-azabicyclo[2.1.1]hexan-5-amine;molecular hydrogen;sulfane.
What is the SMILES notation for N,2-dimethyl-2-azabicyclo[2.1.1]hexan-5-amine;molecular hydrogen;sulfane?
The canonical SMILES for N,2-dimethyl-2-azabicyclo[2.1.1]hexan-5-amine;molecular hydrogen;sulfane is CNC1C2CC1N(C)C2.S.[H][H].
What is the InChIKey of N,2-dimethyl-2-azabicyclo[2.1.1]hexan-5-amine;molecular hydrogen;sulfane?
The InChIKey is VAXZEUUVTXCILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.H2S.H2/c1-8-7-5-3-6(7)9(2)4-5;;/h5-8H,3-4H2,1-2H3;1H2;1H.
What are the key properties of N,2-dimethyl-2-azabicyclo[2.1.1]hexan-5-amine;molecular hydrogen;sulfane?
N,2-dimethyl-2-azabicyclo[2.1.1]hexan-5-amine;molecular hydrogen;sulfane has a molecular weight of 162.30 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-azabicyclo[2.1.1]hexan-5-amine;molecular hydrogen;sulfane is sourced from PubChem (CID 178011671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).