N-hex-5-ynyl-3-(4-methoxyphenyl)cyclobutan-1-amine

C17H23NO — CID 106209695

IUPACN-hex-5-ynyl-3-(4-methoxyphenyl)cyclobutan-1-amine
SMILESC#CCCCCNC1CC(c2ccc(OC)cc2)C1
InChIInChI=1S/C17H23NO/c1-3-4-5-6-11-18-16-12-15(13-16)14-7-9-17(19-2)10-8-14/h1,7-10,15-16,18H,4-6,11-13H2,2H3
InChIKeyOTGZBNONRKJBFK-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.33
Rot. Bonds7

About N-hex-5-ynyl-3-(4-methoxyphenyl)cyclobutan-1-amine

N-hex-5-ynyl-3-(4-methoxyphenyl)cyclobutan-1-amine (PubChem CID 106209695) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-hex-5-ynyl-3-(4-methoxyphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-hex-5-ynyl-3-(4-methoxyphenyl)cyclobutan-1-amine
PubChem CID106209695
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-hex-5-ynyl-3-(4-methoxyphenyl)cyclobutan-1-amine
SMILESC#CCCCCNC1CC(c2ccc(OC)cc2)C1
InChIInChI=1S/C17H23NO/c1-3-4-5-6-11-18-16-12-15(13-16)14-7-9-17(19-2)10-8-14/h1,7-10,15-16,18H,4-6,11-13H2,2H3
InChIKeyOTGZBNONRKJBFK-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 115566490
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3-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]cyclobutan-1-amine
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N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)cyclobutan-1-amine
CID 60920137
N-hex-5-ynyl-3-methoxycyclobutan-1-amine
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2-[[3-(4-methoxyphenyl)cyclobutyl]amino]ethylurea
CID 83109435
3-(4-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
CID 114465904
1-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-2-ol
CID 43635449
N-hex-5-ynyl-4-phenylcyclohexan-1-amine
CID 103903638
3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)cyclobutan-1-amine
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3-(4-methoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine
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2-[[3-(4-methoxyphenyl)cyclobutyl]amino]-N-methylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynyl-3-(4-methoxyphenyl)cyclobutan-1-amine?
The IUPAC name of N-hex-5-ynyl-3-(4-methoxyphenyl)cyclobutan-1-amine (CID 106209695) is N-hex-5-ynyl-3-(4-methoxyphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-hex-5-ynyl-3-(4-methoxyphenyl)cyclobutan-1-amine?
The canonical SMILES for N-hex-5-ynyl-3-(4-methoxyphenyl)cyclobutan-1-amine is C#CCCCCNC1CC(c2ccc(OC)cc2)C1.
What is the InChIKey of N-hex-5-ynyl-3-(4-methoxyphenyl)cyclobutan-1-amine?
The InChIKey is OTGZBNONRKJBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-3-4-5-6-11-18-16-12-15(13-16)14-7-9-17(19-2)10-8-14/h1,7-10,15-16,18H,4-6,11-13H2,2H3.
What are the key properties of N-hex-5-ynyl-3-(4-methoxyphenyl)cyclobutan-1-amine?
N-hex-5-ynyl-3-(4-methoxyphenyl)cyclobutan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynyl-3-(4-methoxyphenyl)cyclobutan-1-amine is sourced from PubChem (CID 106209695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).