acetylene;N,N-dimethyl-1-[(2R)-pyrrolidin-2-yl]methanamine;molecular hydrogen

C9H20N2 — CID 171531463

IUPACacetylene;N,N-dimethyl-1-[(2R)-pyrrolidin-2-yl]methanamine;molecular hydrogen
SMILESC#C.CN(C)C[C@H]1CCCN1.[H][H]
InChIInChI=1S/C7H16N2.C2H2.H2/c1-9(2)6-7-4-3-5-8-7;1-2;/h7-8H,3-6H2,1-2H3;1-2H;1H/t7-;;/m1../s1
InChIKeyOGWCXOBBODFBPO-XCUBXKJBSA-N
MW156.27 g/mol
LogP0.80
Rot. Bonds2

About acetylene;N,N-dimethyl-1-[(2R)-pyrrolidin-2-yl]methanamine;molecular hydrogen

acetylene;N,N-dimethyl-1-[(2R)-pyrrolidin-2-yl]methanamine;molecular hydrogen (PubChem CID 171531463) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is acetylene;N,N-dimethyl-1-[(2R)-pyrrolidin-2-yl]methanamine;molecular hydrogen.

Molecular Properties

Compound Nameacetylene;N,N-dimethyl-1-[(2R)-pyrrolidin-2-yl]methanamine;molecular hydrogen
PubChem CID171531463
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Nameacetylene;N,N-dimethyl-1-[(2R)-pyrrolidin-2-yl]methanamine;molecular hydrogen
SMILESC#C.CN(C)C[C@H]1CCCN1.[H][H]
InChIInChI=1S/C7H16N2.C2H2.H2/c1-9(2)6-7-4-3-5-8-7;1-2;/h7-8H,3-6H2,1-2H3;1-2H;1H/t7-;;/m1../s1
InChIKeyOGWCXOBBODFBPO-XCUBXKJBSA-N
XLogP0.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-1-piperidin-2-ylmethanamine;dihydrochloride
CID 45075192
N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-2-amine;molecular hydrogen
CID 177210581
1-[(2S)-azetidin-2-yl]-N,N-dimethylmethanamine;ethane
CID 156727541
N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 4715267
1-cyclopentyl-N-methyl-N-(pyrrolidin-2-ylmethyl)methanamine
CID 63631590
N,N-dimethyl-2-[(2S)-pyrrolidin-2-yl]ethanamine;dihydrochloride
CID 155100868
N,N-dimethyl-N'-propyl-N'-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine
CID 104870166
N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641999
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-2-amine
CID 104870141
2-[2-(dimethylamino)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618094
ethane;(2R)-2-ethylpyrrolidine;molecular hydrogen;hydrofluoride
CID 178147337
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-1-amine
CID 22689623

Frequently Asked Questions

What is the IUPAC name of acetylene;N,N-dimethyl-1-[(2R)-pyrrolidin-2-yl]methanamine;molecular hydrogen?
The IUPAC name of acetylene;N,N-dimethyl-1-[(2R)-pyrrolidin-2-yl]methanamine;molecular hydrogen (CID 171531463) is acetylene;N,N-dimethyl-1-[(2R)-pyrrolidin-2-yl]methanamine;molecular hydrogen.
What is the SMILES notation for acetylene;N,N-dimethyl-1-[(2R)-pyrrolidin-2-yl]methanamine;molecular hydrogen?
The canonical SMILES for acetylene;N,N-dimethyl-1-[(2R)-pyrrolidin-2-yl]methanamine;molecular hydrogen is C#C.CN(C)C[C@H]1CCCN1.[H][H].
What is the InChIKey of acetylene;N,N-dimethyl-1-[(2R)-pyrrolidin-2-yl]methanamine;molecular hydrogen?
The InChIKey is OGWCXOBBODFBPO-XCUBXKJBSA-N. The full InChI is InChI=1S/C7H16N2.C2H2.H2/c1-9(2)6-7-4-3-5-8-7;1-2;/h7-8H,3-6H2,1-2H3;1-2H;1H/t7-;;/m1../s1.
What are the key properties of acetylene;N,N-dimethyl-1-[(2R)-pyrrolidin-2-yl]methanamine;molecular hydrogen?
acetylene;N,N-dimethyl-1-[(2R)-pyrrolidin-2-yl]methanamine;molecular hydrogen has a molecular weight of 156.27 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;N,N-dimethyl-1-[(2R)-pyrrolidin-2-yl]methanamine;molecular hydrogen is sourced from PubChem (CID 171531463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).