N-but-3-yn-2-yl-3-phenylcyclobutan-1-amine

C14H17N — CID 114415383

IUPACN-but-3-yn-2-yl-3-phenylcyclobutan-1-amine
SMILESC#CC(C)NC1CC(c2ccccc2)C1
InChIInChI=1S/C14H17N/c1-3-11(2)15-14-9-13(10-14)12-7-5-4-6-8-12/h1,4-8,11,13-15H,9-10H2,2H3
InChIKeyUNQYTAGLLRZCED-UHFFFAOYSA-N
MW199.30 g/mol
LogP2.54
Rot. Bonds3

About N-but-3-yn-2-yl-3-phenylcyclobutan-1-amine

N-but-3-yn-2-yl-3-phenylcyclobutan-1-amine (PubChem CID 114415383) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is N-but-3-yn-2-yl-3-phenylcyclobutan-1-amine.

Molecular Properties

Compound NameN-but-3-yn-2-yl-3-phenylcyclobutan-1-amine
PubChem CID114415383
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC NameN-but-3-yn-2-yl-3-phenylcyclobutan-1-amine
SMILESC#CC(C)NC1CC(c2ccccc2)C1
InChIInChI=1S/C14H17N/c1-3-11(2)15-14-9-13(10-14)12-7-5-4-6-8-12/h1,4-8,11,13-15H,9-10H2,2H3
InChIKeyUNQYTAGLLRZCED-UHFFFAOYSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 52.54
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

(2S)-2-[(3-phenylcyclobutyl)amino]propan-1-ol
CID 93252683
N-[1-(4-bromophenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 63453740
N-[(1S)-1-(2-methylphenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 81375684
3-phenyl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 61472261
N-[1-(2-chlorophenyl)propan-2-yl]-3-phenylcyclobutan-1-amine
CID 43677527
2-methyl-N-(3-phenylcyclobutyl)propanamide
CID 166834731
3-[(3-phenylcyclobutyl)amino]butanamide
CID 115676859
N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylcyclobutan-1-amine
CID 158787446
3-phenyl-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine
CID 43632220
N-[1-(oxolan-3-yl)ethyl]-3-phenylcyclobutan-1-amine
CID 115889451
N-[1-(oxolan-2-yl)ethyl]-3-phenylcyclobutan-1-amine
CID 43632276
methyl (2R,3S)-3-hydroxy-2-[(3-phenylcyclobutyl)amino]butanoate
CID 99834984

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-3-phenylcyclobutan-1-amine?
The IUPAC name of N-but-3-yn-2-yl-3-phenylcyclobutan-1-amine (CID 114415383) is N-but-3-yn-2-yl-3-phenylcyclobutan-1-amine.
What is the SMILES notation for N-but-3-yn-2-yl-3-phenylcyclobutan-1-amine?
The canonical SMILES for N-but-3-yn-2-yl-3-phenylcyclobutan-1-amine is C#CC(C)NC1CC(c2ccccc2)C1.
What is the InChIKey of N-but-3-yn-2-yl-3-phenylcyclobutan-1-amine?
The InChIKey is UNQYTAGLLRZCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-3-11(2)15-14-9-13(10-14)12-7-5-4-6-8-12/h1,4-8,11,13-15H,9-10H2,2H3.
What are the key properties of N-but-3-yn-2-yl-3-phenylcyclobutan-1-amine?
N-but-3-yn-2-yl-3-phenylcyclobutan-1-amine has a molecular weight of 199.30 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-3-phenylcyclobutan-1-amine is sourced from PubChem (CID 114415383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).