N-(2-but-3-ynoxyethyl)propan-2-amine

C9H17NO — CID 62342205

IUPACN-(2-but-3-ynoxyethyl)propan-2-amine
SMILESC#CCCOCCNC(C)C
InChIInChI=1S/C9H17NO/c1-4-5-7-11-8-6-10-9(2)3/h1,9-10H,5-8H2,2-3H3
InChIKeyILFNYNZLKDWIIZ-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.02
Rot. Bonds6

About N-(2-but-3-ynoxyethyl)propan-2-amine

N-(2-but-3-ynoxyethyl)propan-2-amine (PubChem CID 62342205) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-(2-but-3-ynoxyethyl)propan-2-amine.

Molecular Properties

Compound NameN-(2-but-3-ynoxyethyl)propan-2-amine
PubChem CID62342205
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-(2-but-3-ynoxyethyl)propan-2-amine
SMILESC#CCCOCCNC(C)C
InChIInChI=1S/C9H17NO/c1-4-5-7-11-8-6-10-9(2)3/h1,9-10H,5-8H2,2-3H3
InChIKeyILFNYNZLKDWIIZ-UHFFFAOYSA-N
XLogP1.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.02
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

N-[2-[3-[2-(propan-2-ylamino)ethoxy]-2,2-bis[2-(propan-2-ylamino)ethoxymethyl]propoxy]ethyl]propan-2-amine
CID 140945350
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]propan-2-amine
CID 138744855
N-[2-[2-(dimethylamino)ethoxy]ethyl]propan-2-amine
CID 62341832
N-(2-propoxyethyl)pent-4-yn-2-amine
CID 106452525
N-[2-(3-methylbutoxy)ethyl]but-3-yn-1-amine
CID 63656269
N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]propan-2-amine
CID 126671623
N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]propan-2-amine;molecular hydrogen
CID 171507882
N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-1-amine
CID 138727595
N-(2-decoxyethyl)propan-2-amine
CID 63399572
1,4-bis(but-3-ynoxy)butane
CID 123521140
4-[2-(propan-2-ylamino)ethoxy]butan-2-one
CID 147119973
N-[2-(2-octoxyethoxy)ethyl]propan-2-amine
CID 156795483

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-ynoxyethyl)propan-2-amine?
The IUPAC name of N-(2-but-3-ynoxyethyl)propan-2-amine (CID 62342205) is N-(2-but-3-ynoxyethyl)propan-2-amine.
What is the SMILES notation for N-(2-but-3-ynoxyethyl)propan-2-amine?
The canonical SMILES for N-(2-but-3-ynoxyethyl)propan-2-amine is C#CCCOCCNC(C)C.
What is the InChIKey of N-(2-but-3-ynoxyethyl)propan-2-amine?
The InChIKey is ILFNYNZLKDWIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-5-7-11-8-6-10-9(2)3/h1,9-10H,5-8H2,2-3H3.
What are the key properties of N-(2-but-3-ynoxyethyl)propan-2-amine?
N-(2-but-3-ynoxyethyl)propan-2-amine has a molecular weight of 155.24 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-ynoxyethyl)propan-2-amine is sourced from PubChem (CID 62342205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).