N,N,N',N'-tetraethylbut-2-yne-1,4-diamine

C12H24N2 — CID 7740

IUPACN,N,N',N'-tetraethylbut-2-yne-1,4-diamine
SMILESCCN(CC)CC#CCN(CC)CC
InChIInChI=1S/C12H24N2/c1-5-13(6-2)11-9-10-12-14(7-3)8-4/h5-8,11-12H2,1-4H3
InChIKeyZSHOGSSMVWJOGA-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.67
Rot. Bonds6

About N,N,N',N'-tetraethylbut-2-yne-1,4-diamine

N,N,N',N'-tetraethylbut-2-yne-1,4-diamine (PubChem CID 7740) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N,N,N',N'-tetraethylbut-2-yne-1,4-diamine.

Molecular Properties

Compound NameN,N,N',N'-tetraethylbut-2-yne-1,4-diamine
PubChem CID7740
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN,N,N',N'-tetraethylbut-2-yne-1,4-diamine
SMILESCCN(CC)CC#CCN(CC)CC
InChIInChI=1S/C12H24N2/c1-5-13(6-2)11-9-10-12-14(7-3)8-4/h5-8,11-12H2,1-4H3
InChIKeyZSHOGSSMVWJOGA-UHFFFAOYSA-N
XLogP1.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetraethylbut-2-yne-1,4-diamine?
The IUPAC name of N,N,N',N'-tetraethylbut-2-yne-1,4-diamine (CID 7740) is N,N,N',N'-tetraethylbut-2-yne-1,4-diamine.
What is the SMILES notation for N,N,N',N'-tetraethylbut-2-yne-1,4-diamine?
The canonical SMILES for N,N,N',N'-tetraethylbut-2-yne-1,4-diamine is CCN(CC)CC#CCN(CC)CC.
What is the InChIKey of N,N,N',N'-tetraethylbut-2-yne-1,4-diamine?
The InChIKey is ZSHOGSSMVWJOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-13(6-2)11-9-10-12-14(7-3)8-4/h5-8,11-12H2,1-4H3.
What are the key properties of N,N,N',N'-tetraethylbut-2-yne-1,4-diamine?
N,N,N',N'-tetraethylbut-2-yne-1,4-diamine has a molecular weight of 196.34 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetraethylbut-2-yne-1,4-diamine is sourced from PubChem (CID 7740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).