1-N'-ethynyl-1-N'-methylethane-1,1-diamine

C5H10N2 — CID 173144739

IUPAC1-N'-ethynyl-1-N'-methylethane-1,1-diamine
SMILESC#CN(C)C(C)N
InChIInChI=1S/C5H10N2/c1-4-7(3)5(2)6/h1,5H,6H2,2-3H3
InChIKeyAPLDVULOXBBGIL-UHFFFAOYSA-N
MW98.15 g/mol
LogP-0.19
Rot. Bonds1

About 1-N'-ethynyl-1-N'-methylethane-1,1-diamine

1-N'-ethynyl-1-N'-methylethane-1,1-diamine (PubChem CID 173144739) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 1-N'-ethynyl-1-N'-methylethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-ethynyl-1-N'-methylethane-1,1-diamine
PubChem CID173144739
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name1-N'-ethynyl-1-N'-methylethane-1,1-diamine
SMILESC#CN(C)C(C)N
InChIInChI=1S/C5H10N2/c1-4-7(3)5(2)6/h1,5H,6H2,2-3H3
InChIKeyAPLDVULOXBBGIL-UHFFFAOYSA-N
XLogP-0.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-4-methylpent-1-yn-3-amine
CID 11579133
N-ethynyl-N-methylhexan-2-amine
CID 174450179
1-N,1-N-dimethylbut-3-yne-1,2-diamine
CID 79095341
1-N-but-3-ynyl-1-N-methylpropane-1,2-diamine
CID 130563525
1-N,1-N-dimethylpent-4-yne-1,2-diamine
CID 79095343
1-N'-ethenyl-1-N'-methylethane-1,1-diamine
CID 5249356
2-cyclopentyl-2-[ethynyl(methyl)amino]acetaldehyde
CID 171516429
N-(1-aminoethyl)-N-methylethanethioamide
CID 155041594
(2S,3R)-3-bromobutan-2-amine
CID 13495075
N,N-dimethylmethanamine;ethynylsilicon(3+)
CID 172759002
N,N-dimethylmethanamine;ethynylsilane
CID 172684114
hydron;propan-2-amine
CID 174699722

Frequently Asked Questions

What is the IUPAC name of 1-N'-ethynyl-1-N'-methylethane-1,1-diamine?
The IUPAC name of 1-N'-ethynyl-1-N'-methylethane-1,1-diamine (CID 173144739) is 1-N'-ethynyl-1-N'-methylethane-1,1-diamine.
What is the SMILES notation for 1-N'-ethynyl-1-N'-methylethane-1,1-diamine?
The canonical SMILES for 1-N'-ethynyl-1-N'-methylethane-1,1-diamine is C#CN(C)C(C)N.
What is the InChIKey of 1-N'-ethynyl-1-N'-methylethane-1,1-diamine?
The InChIKey is APLDVULOXBBGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c1-4-7(3)5(2)6/h1,5H,6H2,2-3H3.
What are the key properties of 1-N'-ethynyl-1-N'-methylethane-1,1-diamine?
1-N'-ethynyl-1-N'-methylethane-1,1-diamine has a molecular weight of 98.15 g/mol, XLogP of -0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-ethynyl-1-N'-methylethane-1,1-diamine is sourced from PubChem (CID 173144739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).