5-ethoxy-1-N,1-N,2-N,2-N-tetramethylpent-3-yne-1,2-diamine

C11H22N2O — CID 23269671

IUPAC5-ethoxy-1-N,1-N,2-N,2-N-tetramethylpent-3-yne-1,2-diamine
SMILESCCOCC#CC(CN(C)C)N(C)C
InChIInChI=1S/C11H22N2O/c1-6-14-9-7-8-11(13(4)5)10-12(2)3/h11H,6,9-10H2,1-5H3
InChIKeySQSDKMAHHOKSBN-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.52
Rot. Bonds5

About 5-ethoxy-1-N,1-N,2-N,2-N-tetramethylpent-3-yne-1,2-diamine

5-ethoxy-1-N,1-N,2-N,2-N-tetramethylpent-3-yne-1,2-diamine (PubChem CID 23269671) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 5-ethoxy-1-N,1-N,2-N,2-N-tetramethylpent-3-yne-1,2-diamine.

Molecular Properties

Compound Name5-ethoxy-1-N,1-N,2-N,2-N-tetramethylpent-3-yne-1,2-diamine
PubChem CID23269671
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name5-ethoxy-1-N,1-N,2-N,2-N-tetramethylpent-3-yne-1,2-diamine
SMILESCCOCC#CC(CN(C)C)N(C)C
InChIInChI=1S/C11H22N2O/c1-6-14-9-7-8-11(13(4)5)10-12(2)3/h11H,6,9-10H2,1-5H3
InChIKeySQSDKMAHHOKSBN-UHFFFAOYSA-N
XLogP0.52
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-N,1-N,2-N,2-N-tetramethylbut-3-yne-1,2-diamine
CID 23269104
3-ethoxy-1-N,1-N-dimethylpropane-1,2-diamine
CID 79570499
1-chloro-4-ethoxybut-2-yne
CID 55302777
(2R)-3-ethoxy-2-methoxy-N,N-dimethylpropan-1-amine
CID 118521701
(2R)-N,N,2,3-tetramethylpentan-1-amine
CID 130182039
triethoxy(3-ethoxyprop-1-ynyl)silane
CID 139978047
5-ethoxy-2-methylpent-3-yn-2-amine
CID 21078414
cerium(4+);bis((2S)-1-(dimethylamino)propan-2-olate);bis((2R)-1-(dimethylamino)propan-2-olate)
CID 139136402
4,4-diethoxy-N,N-dimethylbut-2-yn-1-amine
CID 13066054
1-ethoxy-2-isocyanatopropane
CID 63109852
1-[2-(dimethylamino)ethyl-methylamino]-3-ethoxypropan-2-ol
CID 63932351
strontium;ethoxyethane;hydride
CID 174808757

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-N,1-N,2-N,2-N-tetramethylpent-3-yne-1,2-diamine?
The IUPAC name of 5-ethoxy-1-N,1-N,2-N,2-N-tetramethylpent-3-yne-1,2-diamine (CID 23269671) is 5-ethoxy-1-N,1-N,2-N,2-N-tetramethylpent-3-yne-1,2-diamine.
What is the SMILES notation for 5-ethoxy-1-N,1-N,2-N,2-N-tetramethylpent-3-yne-1,2-diamine?
The canonical SMILES for 5-ethoxy-1-N,1-N,2-N,2-N-tetramethylpent-3-yne-1,2-diamine is CCOCC#CC(CN(C)C)N(C)C.
What is the InChIKey of 5-ethoxy-1-N,1-N,2-N,2-N-tetramethylpent-3-yne-1,2-diamine?
The InChIKey is SQSDKMAHHOKSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-6-14-9-7-8-11(13(4)5)10-12(2)3/h11H,6,9-10H2,1-5H3.
What are the key properties of 5-ethoxy-1-N,1-N,2-N,2-N-tetramethylpent-3-yne-1,2-diamine?
5-ethoxy-1-N,1-N,2-N,2-N-tetramethylpent-3-yne-1,2-diamine has a molecular weight of 198.31 g/mol, XLogP of 0.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-N,1-N,2-N,2-N-tetramethylpent-3-yne-1,2-diamine is sourced from PubChem (CID 23269671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).