N'-but-3-ynyl-N'-methylethane-1,2-diamine

C7H14N2 — CID 62686258

IUPACN'-but-3-ynyl-N'-methylethane-1,2-diamine
SMILESC#CCCN(C)CCN
InChIInChI=1S/C7H14N2/c1-3-4-6-9(2)7-5-8/h1H,4-8H2,2H3
InChIKeyBHQGRDXLVIXEFR-UHFFFAOYSA-N
MW126.20 g/mol
LogP-0.10
Rot. Bonds4

About N'-but-3-ynyl-N'-methylethane-1,2-diamine

N'-but-3-ynyl-N'-methylethane-1,2-diamine (PubChem CID 62686258) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N'-but-3-ynyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-but-3-ynyl-N'-methylethane-1,2-diamine
PubChem CID62686258
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN'-but-3-ynyl-N'-methylethane-1,2-diamine
SMILESC#CCCN(C)CCN
InChIInChI=1S/C7H14N2/c1-3-4-6-9(2)7-5-8/h1H,4-8H2,2H3
InChIKeyBHQGRDXLVIXEFR-UHFFFAOYSA-N
XLogP-0.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-but-3-ynyl-1-N-methylpropane-1,2-diamine
CID 130563525
N'-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-N'-methylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 23499637
N,N-dimethylbut-3-yn-1-amine;ethane
CID 142119055
N-methyl-N-oct-7-ynyloct-7-yn-1-amine
CID 170134765
ethane;N'-methyl-N'-propylethane-1,2-diamine
CID 164863386
N'-(2-aminoethyl)-N'-methylpentane-1,5-diamine
CID 57004343
N'-[2-(diiodoamino)ethyl]-N'-methylethane-1,2-diamine
CID 145464641
N'-(3-fluoropropyl)-N'-methylethane-1,2-diamine
CID 81106784
2-[methyl(pent-4-ynyl)amino]ethanol
CID 115872742
N-but-3-ynyl-N,2-dimethylpropan-2-amine;hydrochloride
CID 136574841
N-but-3-ynyl-N-methylpentan-3-amine
CID 63657244
N'-[2-[2-(dimethylamino)ethylamino]ethyl]-N'-methylethane-1,2-diamine
CID 134394080

Frequently Asked Questions

What is the IUPAC name of N'-but-3-ynyl-N'-methylethane-1,2-diamine?
The IUPAC name of N'-but-3-ynyl-N'-methylethane-1,2-diamine (CID 62686258) is N'-but-3-ynyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-but-3-ynyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-but-3-ynyl-N'-methylethane-1,2-diamine is C#CCCN(C)CCN.
What is the InChIKey of N'-but-3-ynyl-N'-methylethane-1,2-diamine?
The InChIKey is BHQGRDXLVIXEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-3-4-6-9(2)7-5-8/h1H,4-8H2,2H3.
What are the key properties of N'-but-3-ynyl-N'-methylethane-1,2-diamine?
N'-but-3-ynyl-N'-methylethane-1,2-diamine has a molecular weight of 126.20 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-3-ynyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62686258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).