N-hex-5-yn-3-yl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine

C14H25NO — CID 115972368

IUPACN-hex-5-yn-3-yl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine
SMILESC#CCC(CC)NC1CC(OC(C)(C)C)C1
InChIInChI=1S/C14H25NO/c1-6-8-11(7-2)15-12-9-13(10-12)16-14(3,4)5/h1,11-13,15H,7-10H2,2-5H3
InChIKeyWCIVYEXSCFZIKV-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.72
Rot. Bonds5

About N-hex-5-yn-3-yl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine

N-hex-5-yn-3-yl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine (PubChem CID 115972368) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-hex-5-yn-3-yl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine.

Molecular Properties

Compound NameN-hex-5-yn-3-yl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine
PubChem CID115972368
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-hex-5-yn-3-yl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine
SMILESC#CCC(CC)NC1CC(OC(C)(C)C)C1
InChIInChI=1S/C14H25NO/c1-6-8-11(7-2)15-12-9-13(10-12)16-14(3,4)5/h1,11-13,15H,7-10H2,2-5H3
InChIKeyWCIVYEXSCFZIKV-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.72
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-hex-5-yn-3-ylthian-4-amine
CID 115723527
2-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]propan-1-ol
CID 110010925
2,3-dimethyl-1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]pentan-2-ol
CID 110010568
3-methoxy-N-pent-4-yn-2-ylcyclobutan-1-amine
CID 104871826
methane;N-methyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine
CID 158877825
N-hex-5-yn-3-yl-4-phenylcyclohexan-1-amine
CID 115723560
(2R)-2-[(3-methoxycyclobutyl)amino]butan-1-ol
CID 104871999
N-(2-ethoxypropyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine
CID 115972400
N-hex-5-yn-3-yl-1-phenylpiperidin-4-amine
CID 103786007
2-[(3-ethoxycyclobutyl)amino]butan-1-ol
CID 112552968
1-ethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutane
CID 90210270
N-ethylhex-5-yn-3-amine
CID 62233887

Frequently Asked Questions

What is the IUPAC name of N-hex-5-yn-3-yl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine?
The IUPAC name of N-hex-5-yn-3-yl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine (CID 115972368) is N-hex-5-yn-3-yl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine.
What is the SMILES notation for N-hex-5-yn-3-yl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine?
The canonical SMILES for N-hex-5-yn-3-yl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine is C#CCC(CC)NC1CC(OC(C)(C)C)C1.
What is the InChIKey of N-hex-5-yn-3-yl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine?
The InChIKey is WCIVYEXSCFZIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-6-8-11(7-2)15-12-9-13(10-12)16-14(3,4)5/h1,11-13,15H,7-10H2,2-5H3.
What are the key properties of N-hex-5-yn-3-yl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine?
N-hex-5-yn-3-yl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-yn-3-yl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine is sourced from PubChem (CID 115972368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).