N-but-2-ynyl-N',N'-dimethylethane-1,2-diamine

C8H16N2 — CID 62311533

IUPACN-but-2-ynyl-N',N'-dimethylethane-1,2-diamine
SMILESCC#CCNCCN(C)C
InChIInChI=1S/C8H16N2/c1-4-5-6-9-7-8-10(2)3/h9H,6-8H2,1-3H3
InChIKeyLSMJQXHWWRWYMB-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.16
Rot. Bonds4

About N-but-2-ynyl-N',N'-dimethylethane-1,2-diamine

N-but-2-ynyl-N',N'-dimethylethane-1,2-diamine (PubChem CID 62311533) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-but-2-ynyl-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-but-2-ynyl-N',N'-dimethylethane-1,2-diamine
PubChem CID62311533
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-but-2-ynyl-N',N'-dimethylethane-1,2-diamine
SMILESCC#CCNCCN(C)C
InChIInChI=1S/C8H16N2/c1-4-5-6-9-7-8-10(2)3/h9H,6-8H2,1-3H3
InChIKeyLSMJQXHWWRWYMB-UHFFFAOYSA-N
XLogP0.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N',N'-dimethyl-N-propylethane-1,2-diamine;ethane
CID 134080811
N-[2-[ethyl(propyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 62573813
N-but-2-ynyl-3,3-difluorobutan-1-amine
CID 131227219
N',N'-dimethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 16772870
N-(2-bromoethyl)-N',N'-dimethylethane-1,2-diamine;dihydrobromide
CID 52995491
N-butyl-N',N'-dimethylethane-1,2-diamine
CID 16781457
N-but-2-ynyl-4-methylpent-3-en-1-amine
CID 131227652
N'-[2-(dimethylamino)ethyl]-N'-methyl-N-prop-2-ynylethane-1,2-diamine
CID 63726172
N-[(2,2-dimethylcyclopropyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 107001471
CID 88826921
CID 88826921
CID 173338058
CID 173338058
N-(2,3-dichloroprop-2-enyl)-N',N'-dimethylethane-1,2-diamine
CID 79167152

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-but-2-ynyl-N',N'-dimethylethane-1,2-diamine (CID 62311533) is N-but-2-ynyl-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-but-2-ynyl-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-but-2-ynyl-N',N'-dimethylethane-1,2-diamine is CC#CCNCCN(C)C.
What is the InChIKey of N-but-2-ynyl-N',N'-dimethylethane-1,2-diamine?
The InChIKey is LSMJQXHWWRWYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-5-6-9-7-8-10(2)3/h9H,6-8H2,1-3H3.
What are the key properties of N-but-2-ynyl-N',N'-dimethylethane-1,2-diamine?
N-but-2-ynyl-N',N'-dimethylethane-1,2-diamine has a molecular weight of 140.23 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 62311533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).