N-[2-(2-methylprop-2-enoxy)ethyl]but-3-yn-2-amine

C10H17NO — CID 114467532

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]but-3-yn-2-amine
SMILESC#CC(C)NCCOCC(=C)C
InChIInChI=1S/C10H17NO/c1-5-10(4)11-6-7-12-8-9(2)3/h1,10-11H,2,6-8H2,3-4H3
InChIKeyREGNDELAQGPPSV-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.19
Rot. Bonds6

About N-[2-(2-methylprop-2-enoxy)ethyl]but-3-yn-2-amine

N-[2-(2-methylprop-2-enoxy)ethyl]but-3-yn-2-amine (PubChem CID 114467532) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]but-3-yn-2-amine.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]but-3-yn-2-amine
PubChem CID114467532
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]but-3-yn-2-amine
SMILESC#CC(C)NCCOCC(=C)C
InChIInChI=1S/C10H17NO/c1-5-10(4)11-6-7-12-8-9(2)3/h1,10-11H,2,6-8H2,3-4H3
InChIKeyREGNDELAQGPPSV-UHFFFAOYSA-N
XLogP1.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2-methylprop-2-enoxy)ethylamino]pentan-1-ol
CID 115973599
N-[2-(3-methoxypropoxy)ethyl]but-3-yn-2-amine
CID 103179557
N-[2-(2-methylprop-2-enoxy)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 115894123
N-[2-(2-methylprop-2-enoxy)ethyl]heptan-4-amine
CID 115893998
4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine
CID 166111983
1-cyclopropyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 115894079
1-tert-butylsulfanyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine
CID 115894013
N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine
CID 115698242
4,4-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
CID 114466224
N-[2-(2-methylprop-2-enoxy)ethyl]undecan-6-amine
CID 114465862
N-[2-(2-methylprop-2-enoxy)ethyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115894187
1-cyclopropyl-4-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pentan-1-amine
CID 114274478

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]but-3-yn-2-amine?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]but-3-yn-2-amine (CID 114467532) is N-[2-(2-methylprop-2-enoxy)ethyl]but-3-yn-2-amine.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]but-3-yn-2-amine?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]but-3-yn-2-amine is C#CC(C)NCCOCC(=C)C.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]but-3-yn-2-amine?
The InChIKey is REGNDELAQGPPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-10(4)11-6-7-12-8-9(2)3/h1,10-11H,2,6-8H2,3-4H3.
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]but-3-yn-2-amine?
N-[2-(2-methylprop-2-enoxy)ethyl]but-3-yn-2-amine has a molecular weight of 167.25 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]but-3-yn-2-amine is sourced from PubChem (CID 114467532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).