but-2-yne;3-methyl-3-azabicyclo[3.1.0]hexane;molecular hydrogen

C10H19N — CID 170630185

IUPACbut-2-yne;3-methyl-3-azabicyclo[3.1.0]hexane;molecular hydrogen
SMILESCC#CC.CN1CC2CC2C1.[H][H]
InChIInChI=1S/C6H11N.C4H6.H2/c1-7-3-5-2-6(5)4-7;1-3-4-2;/h5-6H,2-4H2,1H3;1-2H3;1H
InChIKeyBABNRMXGOAYUFZ-UHFFFAOYSA-N
MW153.27 g/mol
LogP1.84
Rot. Bonds

About but-2-yne;3-methyl-3-azabicyclo[3.1.0]hexane;molecular hydrogen

but-2-yne;3-methyl-3-azabicyclo[3.1.0]hexane;molecular hydrogen (PubChem CID 170630185) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is but-2-yne;3-methyl-3-azabicyclo[3.1.0]hexane;molecular hydrogen.

Molecular Properties

Compound Namebut-2-yne;3-methyl-3-azabicyclo[3.1.0]hexane;molecular hydrogen
PubChem CID170630185
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Namebut-2-yne;3-methyl-3-azabicyclo[3.1.0]hexane;molecular hydrogen
SMILESCC#CC.CN1CC2CC2C1.[H][H]
InChIInChI=1S/C6H11N.C4H6.H2/c1-7-3-5-2-6(5)4-7;1-3-4-2;/h5-6H,2-4H2,1H3;1-2H3;1H
InChIKeyBABNRMXGOAYUFZ-UHFFFAOYSA-N
XLogP1.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-3-azabicyclo[3.1.0]hexane;N-methylmethanamine
CID 142484502
(3aR,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 147950414
ethane;3-methyl-3-azabicyclo[3.1.0]hexane;1-methylazetidine;1-methylpyrrolidine
CID 162220715
3,7-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol
CID 115013655
N,2-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 59398149
2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 12847769
(3aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 142336980
3-methyl-3-azabicyclo[10.1.0]tridecane
CID 91079408
(3aS,7aS)-2,6-dimethyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine
CID 142497849
(3aS,6aR)-2-methyl-5-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 118457215
N,2-dimethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 134400309
2-methyl-5-propyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 121185272

Frequently Asked Questions

What is the IUPAC name of but-2-yne;3-methyl-3-azabicyclo[3.1.0]hexane;molecular hydrogen?
The IUPAC name of but-2-yne;3-methyl-3-azabicyclo[3.1.0]hexane;molecular hydrogen (CID 170630185) is but-2-yne;3-methyl-3-azabicyclo[3.1.0]hexane;molecular hydrogen.
What is the SMILES notation for but-2-yne;3-methyl-3-azabicyclo[3.1.0]hexane;molecular hydrogen?
The canonical SMILES for but-2-yne;3-methyl-3-azabicyclo[3.1.0]hexane;molecular hydrogen is CC#CC.CN1CC2CC2C1.[H][H].
What is the InChIKey of but-2-yne;3-methyl-3-azabicyclo[3.1.0]hexane;molecular hydrogen?
The InChIKey is BABNRMXGOAYUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.C4H6.H2/c1-7-3-5-2-6(5)4-7;1-3-4-2;/h5-6H,2-4H2,1H3;1-2H3;1H.
What are the key properties of but-2-yne;3-methyl-3-azabicyclo[3.1.0]hexane;molecular hydrogen?
but-2-yne;3-methyl-3-azabicyclo[3.1.0]hexane;molecular hydrogen has a molecular weight of 153.27 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-yne;3-methyl-3-azabicyclo[3.1.0]hexane;molecular hydrogen is sourced from PubChem (CID 170630185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).