4,4-diethoxy-N,N-dimethylbut-2-yn-1-amine

C10H19NO2 — CID 13066054

IUPAC4,4-diethoxy-N,N-dimethylbut-2-yn-1-amine
SMILESCCOC(C#CCN(C)C)OCC
InChIInChI=1S/C10H19NO2/c1-5-12-10(13-6-2)8-7-9-11(3)4/h10H,5-6,9H2,1-4H3
InChIKeyNBLQWLPNCALCER-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.95
Rot. Bonds5

About 4,4-diethoxy-N,N-dimethylbut-2-yn-1-amine

4,4-diethoxy-N,N-dimethylbut-2-yn-1-amine (PubChem CID 13066054) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4,4-diethoxy-N,N-dimethylbut-2-yn-1-amine.

Molecular Properties

Compound Name4,4-diethoxy-N,N-dimethylbut-2-yn-1-amine
PubChem CID13066054
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4,4-diethoxy-N,N-dimethylbut-2-yn-1-amine
SMILESCCOC(C#CCN(C)C)OCC
InChIInChI=1S/C10H19NO2/c1-5-12-10(13-6-2)8-7-9-11(3)4/h10H,5-6,9H2,1-4H3
InChIKeyNBLQWLPNCALCER-UHFFFAOYSA-N
XLogP0.95
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1,1-diethoxy-4-[(2-methylpropan-2-yl)oxy]but-2-yne
CID 121009166
11-chloro-1,1-diethoxyundec-2-yne
CID 10707513
6,6-diethoxyhex-4-yn-3-one
CID 86671264
N,N-dimethylethanamine;2-methylpropane
CID 145274023
(E)-1-chloro-5,5-diethoxypent-1-en-3-yne
CID 14067290
1-(3,3-diethoxyprop-1-ynyl)-4-fluorobenzene
CID 23464829
carbon monoxide;cobalt;3,3-diethoxyprop-1-ynylbenzene
CID 11329316
4-(1-ethoxypentadec-2-ynoxy)butan-1-ol
CID 15003163
N-acetyl-N-[5-(dimethylamino)pent-3-yn-2-yl]acetamide
CID 14025467
tributyl(3,3-diethoxyprop-1-ynyl)stannane
CID 12764991
(E,4S)-1,1-diethoxy-7-methyloct-5-en-2-yn-4-ol
CID 101388649
6,6-diethoxy-3-methylhex-2-en-4-yn-1-ol
CID 54498215

Frequently Asked Questions

What is the IUPAC name of 4,4-diethoxy-N,N-dimethylbut-2-yn-1-amine?
The IUPAC name of 4,4-diethoxy-N,N-dimethylbut-2-yn-1-amine (CID 13066054) is 4,4-diethoxy-N,N-dimethylbut-2-yn-1-amine.
What is the SMILES notation for 4,4-diethoxy-N,N-dimethylbut-2-yn-1-amine?
The canonical SMILES for 4,4-diethoxy-N,N-dimethylbut-2-yn-1-amine is CCOC(C#CCN(C)C)OCC.
What is the InChIKey of 4,4-diethoxy-N,N-dimethylbut-2-yn-1-amine?
The InChIKey is NBLQWLPNCALCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-12-10(13-6-2)8-7-9-11(3)4/h10H,5-6,9H2,1-4H3.
What are the key properties of 4,4-diethoxy-N,N-dimethylbut-2-yn-1-amine?
4,4-diethoxy-N,N-dimethylbut-2-yn-1-amine has a molecular weight of 185.27 g/mol, XLogP of 0.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethoxy-N,N-dimethylbut-2-yn-1-amine is sourced from PubChem (CID 13066054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).