acetylene;1-[1-(4-chlorophenyl)cyclobutyl]ethanamine;propane

C17H26ClN — CID 91613724

IUPACacetylene;1-[1-(4-chlorophenyl)cyclobutyl]ethanamine;propane
SMILESC#C.CC(N)C1(c2ccc(Cl)cc2)CCC1.CCC
InChIInChI=1S/C12H16ClN.C3H8.C2H2/c1-9(14)12(7-2-8-12)10-3-5-11(13)6-4-10;1-3-2;1-2/h3-6,9H,2,7-8,14H2,1H3;3H2,1-2H3;1-2H
InChIKeyZTQVGGAVDWFQED-UHFFFAOYSA-N
MW279.85 g/mol
LogP4.77
Rot. Bonds2

About acetylene;1-[1-(4-chlorophenyl)cyclobutyl]ethanamine;propane

acetylene;1-[1-(4-chlorophenyl)cyclobutyl]ethanamine;propane (PubChem CID 91613724) has the molecular formula C17H26ClN and a molecular weight of 279.85 g/mol. Its IUPAC name is acetylene;1-[1-(4-chlorophenyl)cyclobutyl]ethanamine;propane.

Molecular Properties

Compound Nameacetylene;1-[1-(4-chlorophenyl)cyclobutyl]ethanamine;propane
PubChem CID91613724
Molecular FormulaC17H26ClN
Molecular Weight279.85 g/mol
Exact Mass279.18
IUPAC Nameacetylene;1-[1-(4-chlorophenyl)cyclobutyl]ethanamine;propane
SMILESC#C.CC(N)C1(c2ccc(Cl)cc2)CCC1.CCC
InChIInChI=1S/C12H16ClN.C3H8.C2H2/c1-9(14)12(7-2-8-12)10-3-5-11(13)6-4-10;1-3-2;1-2/h3-6,9H,2,7-8,14H2,1H3;3H2,1-2H3;1-2H
InChIKeyZTQVGGAVDWFQED-UHFFFAOYSA-N
XLogP4.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.85
LogP ≤ 54.77
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

1-[1-(4-chlorophenyl)cyclopentyl]ethanamine
CID 83691849
1-[1-(4-chlorophenyl)cyclobutyl]butan-1-amine
CID 13083249
(1R,3S)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylpentan-1-amine
CID 59908351
(1S,2S)-1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-2-ol;hydrochloride
CID 139996809
1-[1-(4-chlorophenyl)cyclobutyl]propan-2-amine
CID 13083334
4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-2-ol;(4R)-4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-2-ol;(4S)-4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-2-ol
CID 161212777
1-[1-(4-iodophenyl)cyclopentyl]ethanamine
CID 117047031
3-[1-(4-chlorophenyl)cyclobutyl]-5-methylhexan-1-amine;2-methylpropane
CID 143085896
[(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-dimethylselanium
CID 154066802
(1R)-1-(1-phenylcyclohexyl)ethanamine
CID 78998571
1-(1-phenylcyclopentyl)ethanamine;hydrochloride
CID 75466877
3-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropan-1-amine
CID 174659532

Frequently Asked Questions

What is the IUPAC name of acetylene;1-[1-(4-chlorophenyl)cyclobutyl]ethanamine;propane?
The IUPAC name of acetylene;1-[1-(4-chlorophenyl)cyclobutyl]ethanamine;propane (CID 91613724) is acetylene;1-[1-(4-chlorophenyl)cyclobutyl]ethanamine;propane.
What is the SMILES notation for acetylene;1-[1-(4-chlorophenyl)cyclobutyl]ethanamine;propane?
The canonical SMILES for acetylene;1-[1-(4-chlorophenyl)cyclobutyl]ethanamine;propane is C#C.CC(N)C1(c2ccc(Cl)cc2)CCC1.CCC.
What is the InChIKey of acetylene;1-[1-(4-chlorophenyl)cyclobutyl]ethanamine;propane?
The InChIKey is ZTQVGGAVDWFQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN.C3H8.C2H2/c1-9(14)12(7-2-8-12)10-3-5-11(13)6-4-10;1-3-2;1-2/h3-6,9H,2,7-8,14H2,1H3;3H2,1-2H3;1-2H.
What are the key properties of acetylene;1-[1-(4-chlorophenyl)cyclobutyl]ethanamine;propane?
acetylene;1-[1-(4-chlorophenyl)cyclobutyl]ethanamine;propane has a molecular weight of 279.85 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;1-[1-(4-chlorophenyl)cyclobutyl]ethanamine;propane is sourced from PubChem (CID 91613724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).