(1S)-2-ethynyl-1-methylcyclobutan-1-amine

C7H11N — CID 58853073

IUPAC(1S)-2-ethynyl-1-methylcyclobutan-1-amine
SMILESC#CC1CC[C@]1(C)N
InChIInChI=1S/C7H11N/c1-3-6-4-5-7(6,2)8/h1,6H,4-5,8H2,2H3/t6?,7-/m0/s1
InChIKeyZQEJXTZKGOKKED-MLWJPKLSSA-N
MW109.17 g/mol
LogP0.75
Rot. Bonds

About (1S)-2-ethynyl-1-methylcyclobutan-1-amine

(1S)-2-ethynyl-1-methylcyclobutan-1-amine (PubChem CID 58853073) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is (1S)-2-ethynyl-1-methylcyclobutan-1-amine.

Molecular Properties

Compound Name(1S)-2-ethynyl-1-methylcyclobutan-1-amine
PubChem CID58853073
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name(1S)-2-ethynyl-1-methylcyclobutan-1-amine
SMILESC#CC1CC[C@]1(C)N
InChIInChI=1S/C7H11N/c1-3-6-4-5-7(6,2)8/h1,6H,4-5,8H2,2H3/t6?,7-/m0/s1
InChIKeyZQEJXTZKGOKKED-MLWJPKLSSA-N
XLogP0.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2S)-1-methylcyclobutane-1,2-diamine
CID 12699189
(1R)-1,2-dimethylcyclobutan-1-amine
CID 147198625
(2R)-2-methylbicyclo[3.1.1]heptan-2-amine
CID 55290522
(3S,3aS,6aR)-3-ethynyl-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-ol
CID 100969657
[(1S,2R)-2-amino-2-methylcyclobutyl]methanol
CID 55284494
1-methyl-4-prop-1-en-2-ylcyclohexan-1-amine
CID 155018164
1,2-dimethylcyclobutan-1-amine;formic acid
CID 175124192
1,4-dimethylcyclohexane-1,2-diamine
CID 91102899
3-amino-2,3-dimethylcyclopentane-1-carboxylic acid
CID 45122086
cis-(1S,3S)-3-cyano-1,2,2-trimethylcyclopentane-1-carboxamide
CID 7054095
1-methylcyclopropane-1,2-diamine
CID 15182447
(1S,3S,4R)-1,3,4-trimethylcyclohexan-1-amine
CID 124508954

Frequently Asked Questions

What is the IUPAC name of (1S)-2-ethynyl-1-methylcyclobutan-1-amine?
The IUPAC name of (1S)-2-ethynyl-1-methylcyclobutan-1-amine (CID 58853073) is (1S)-2-ethynyl-1-methylcyclobutan-1-amine.
What is the SMILES notation for (1S)-2-ethynyl-1-methylcyclobutan-1-amine?
The canonical SMILES for (1S)-2-ethynyl-1-methylcyclobutan-1-amine is C#CC1CC[C@]1(C)N.
What is the InChIKey of (1S)-2-ethynyl-1-methylcyclobutan-1-amine?
The InChIKey is ZQEJXTZKGOKKED-MLWJPKLSSA-N. The full InChI is InChI=1S/C7H11N/c1-3-6-4-5-7(6,2)8/h1,6H,4-5,8H2,2H3/t6?,7-/m0/s1.
What are the key properties of (1S)-2-ethynyl-1-methylcyclobutan-1-amine?
(1S)-2-ethynyl-1-methylcyclobutan-1-amine has a molecular weight of 109.17 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-ethynyl-1-methylcyclobutan-1-amine is sourced from PubChem (CID 58853073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).