N,N-dimethylbut-3-yn-1-amine;ethane

C8H17N — CID 142119055

IUPACN,N-dimethylbut-3-yn-1-amine;ethane
SMILESC#CCCN(C)C.CC
InChIInChI=1S/C6H11N.C2H6/c1-4-5-6-7(2)3;1-2/h1H,5-6H2,2-3H3;1-2H3
InChIKeyISDMMAYNWNJHNC-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.60
Rot. Bonds2

About N,N-dimethylbut-3-yn-1-amine;ethane

N,N-dimethylbut-3-yn-1-amine;ethane (PubChem CID 142119055) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is N,N-dimethylbut-3-yn-1-amine;ethane.

Molecular Properties

Compound NameN,N-dimethylbut-3-yn-1-amine;ethane
PubChem CID142119055
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC NameN,N-dimethylbut-3-yn-1-amine;ethane
SMILESC#CCCN(C)C.CC
InChIInChI=1S/C6H11N.C2H6/c1-4-5-6-7(2)3;1-2/h1H,5-6H2,2-3H3;1-2H3
InChIKeyISDMMAYNWNJHNC-UHFFFAOYSA-N
XLogP1.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-but-3-ynyl-N'-methylethane-1,2-diamine
CID 62686258
N-but-3-ynyl-N,2-dimethylpropan-2-amine;hydrochloride
CID 136574841
N-but-3-ynyl-N-methylpentan-3-amine
CID 63657244
N'-but-3-ynyl-N,N,N'-triethylpropane-1,3-diamine
CID 102996136
N,N-dimethyl-2-(4-pent-4-ynylpiperazin-1-yl)ethanamine
CID 115872596
N-methyl-N-oct-7-ynyloct-7-yn-1-amine
CID 170134765
1-N-but-3-ynyl-1-N-methylpropane-1,2-diamine
CID 130563525
N-[2-(dimethylamino)ethyl]-N-ethylpent-4-ynamide
CID 89173401
2-[but-3-ynyl(2-methylpropyl)amino]acetic acid
CID 63065219
zinc;N,N-dimethylbut-3-yn-1-amine;ethane
CID 85439298
N-but-3-ynyl-4,4-dimethyl-N-propylpentan-1-amine
CID 142817850
4-(dimethylamino)but-1-yne-1-sulfonyl chloride
CID 117265349

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylbut-3-yn-1-amine;ethane?
The IUPAC name of N,N-dimethylbut-3-yn-1-amine;ethane (CID 142119055) is N,N-dimethylbut-3-yn-1-amine;ethane.
What is the SMILES notation for N,N-dimethylbut-3-yn-1-amine;ethane?
The canonical SMILES for N,N-dimethylbut-3-yn-1-amine;ethane is C#CCCN(C)C.CC.
What is the InChIKey of N,N-dimethylbut-3-yn-1-amine;ethane?
The InChIKey is ISDMMAYNWNJHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.C2H6/c1-4-5-6-7(2)3;1-2/h1H,5-6H2,2-3H3;1-2H3.
What are the key properties of N,N-dimethylbut-3-yn-1-amine;ethane?
N,N-dimethylbut-3-yn-1-amine;ethane has a molecular weight of 127.23 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylbut-3-yn-1-amine;ethane is sourced from PubChem (CID 142119055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).