2-ethyl-N'-ethynyl-N,N-dimethylbutane-1,4-diamine

C10H20N2 — CID 156812983

IUPAC2-ethyl-N'-ethynyl-N,N-dimethylbutane-1,4-diamine
SMILESC#CNCCC(CC)CN(C)C
InChIInChI=1S/C10H20N2/c1-5-10(9-12(3)4)7-8-11-6-2/h2,10-11H,5,7-9H2,1,3-4H3
InChIKeyWQJLFCJFWMLDNN-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.14
Rot. Bonds6

About 2-ethyl-N'-ethynyl-N,N-dimethylbutane-1,4-diamine

2-ethyl-N'-ethynyl-N,N-dimethylbutane-1,4-diamine (PubChem CID 156812983) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-ethyl-N'-ethynyl-N,N-dimethylbutane-1,4-diamine.

Molecular Properties

Compound Name2-ethyl-N'-ethynyl-N,N-dimethylbutane-1,4-diamine
PubChem CID156812983
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name2-ethyl-N'-ethynyl-N,N-dimethylbutane-1,4-diamine
SMILESC#CNCCC(CC)CN(C)C
InChIInChI=1S/C10H20N2/c1-5-10(9-12(3)4)7-8-11-6-2/h2,10-11H,5,7-9H2,1,3-4H3
InChIKeyWQJLFCJFWMLDNN-UHFFFAOYSA-N
XLogP1.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N,N-dimethylundecan-1-amine
CID 87794341
2-(chloromethyl)-N,N-dimethylbutan-1-amine
CID 55303593
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CID 547455
2-ethyl-N,N-dimethyldecan-1-amine;2-methylbut-2-ene
CID 142067744
N,3-diethylpentan-1-amine;ethane
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3-ethyl-N-(3-ethylhexyl)hexan-1-amine
CID 19083272
N'-butan-2-yl-N'-methyl-N-prop-2-ynylethane-1,2-diamine
CID 62560907
4-ethyl-2-hydrazinyl-N,N-dimethyloctan-1-amine
CID 105244694
N-ethynylhexan-1-amine
CID 54035696
4-ethyl-N,N-dimethyl-2-(3-methylbutan-2-yl)heptan-1-amine
CID 170849414
2-[(dimethylamino)methyl]pentan-1-ol
CID 117241783
N,N-dimethyl-2-octyldodecan-1-amine
CID 21291112

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-ethynyl-N,N-dimethylbutane-1,4-diamine?
The IUPAC name of 2-ethyl-N'-ethynyl-N,N-dimethylbutane-1,4-diamine (CID 156812983) is 2-ethyl-N'-ethynyl-N,N-dimethylbutane-1,4-diamine.
What is the SMILES notation for 2-ethyl-N'-ethynyl-N,N-dimethylbutane-1,4-diamine?
The canonical SMILES for 2-ethyl-N'-ethynyl-N,N-dimethylbutane-1,4-diamine is C#CNCCC(CC)CN(C)C.
What is the InChIKey of 2-ethyl-N'-ethynyl-N,N-dimethylbutane-1,4-diamine?
The InChIKey is WQJLFCJFWMLDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-5-10(9-12(3)4)7-8-11-6-2/h2,10-11H,5,7-9H2,1,3-4H3.
What are the key properties of 2-ethyl-N'-ethynyl-N,N-dimethylbutane-1,4-diamine?
2-ethyl-N'-ethynyl-N,N-dimethylbutane-1,4-diamine has a molecular weight of 168.28 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-ethynyl-N,N-dimethylbutane-1,4-diamine is sourced from PubChem (CID 156812983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).