N'-[2-(dimethylamino)ethyl]-N'-methyl-N-prop-2-ynylethane-1,2-diamine

C10H21N3 — CID 63726172

IUPACN'-[2-(dimethylamino)ethyl]-N'-methyl-N-prop-2-ynylethane-1,2-diamine
SMILESC#CCNCCN(C)CCN(C)C
InChIInChI=1S/C10H21N3/c1-5-6-11-7-8-13(4)10-9-12(2)3/h1,11H,6-10H2,2-4H3
InChIKeyORIXBPDRXYKDBH-UHFFFAOYSA-N
MW183.30 g/mol
LogP-0.30
Rot. Bonds7

About N'-[2-(dimethylamino)ethyl]-N'-methyl-N-prop-2-ynylethane-1,2-diamine

N'-[2-(dimethylamino)ethyl]-N'-methyl-N-prop-2-ynylethane-1,2-diamine (PubChem CID 63726172) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is N'-[2-(dimethylamino)ethyl]-N'-methyl-N-prop-2-ynylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(dimethylamino)ethyl]-N'-methyl-N-prop-2-ynylethane-1,2-diamine
PubChem CID63726172
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC NameN'-[2-(dimethylamino)ethyl]-N'-methyl-N-prop-2-ynylethane-1,2-diamine
SMILESC#CCNCCN(C)CCN(C)C
InChIInChI=1S/C10H21N3/c1-5-6-11-7-8-13(4)10-9-12(2)3/h1,11H,6-10H2,2-4H3
InChIKeyORIXBPDRXYKDBH-UHFFFAOYSA-N
XLogP-0.30
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'-methyl-N'-pentyl-N-prop-2-ynylethane-1,2-diamine
CID 62559632
N'-butan-2-yl-N'-methyl-N-prop-2-ynylethane-1,2-diamine
CID 62560907
N'-[2-(dimethylamino)ethyl]-N'-methyl-N-(4-methylpentyl)ethane-1,2-diamine
CID 63727214
N'-methyl-N-prop-2-ynyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 62560587
N'-methyl-N'-[(5-methylfuran-2-yl)methyl]-N-prop-2-ynylethane-1,2-diamine
CID 62559098
N'-[2-[2-(dimethylamino)ethylamino]ethyl]-N'-methylethane-1,2-diamine
CID 134394080
CID 88826921
CID 88826921
N',N'-bis(2-methoxyethyl)-N-prop-2-ynylethane-1,2-diamine
CID 62560104
CID 173338058
CID 173338058
2-N-[2-(dimethylamino)ethyl]-2-N-propyl-1-N-prop-2-ynylpropane-1,2-diamine
CID 62568171
N-(dicyclopropylmethyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 63725313
N'-butan-2-yl-N'-ethyl-N-prop-2-ynylethane-1,2-diamine
CID 62560910

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)ethyl]-N'-methyl-N-prop-2-ynylethane-1,2-diamine?
The IUPAC name of N'-[2-(dimethylamino)ethyl]-N'-methyl-N-prop-2-ynylethane-1,2-diamine (CID 63726172) is N'-[2-(dimethylamino)ethyl]-N'-methyl-N-prop-2-ynylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(dimethylamino)ethyl]-N'-methyl-N-prop-2-ynylethane-1,2-diamine?
The canonical SMILES for N'-[2-(dimethylamino)ethyl]-N'-methyl-N-prop-2-ynylethane-1,2-diamine is C#CCNCCN(C)CCN(C)C.
What is the InChIKey of N'-[2-(dimethylamino)ethyl]-N'-methyl-N-prop-2-ynylethane-1,2-diamine?
The InChIKey is ORIXBPDRXYKDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-5-6-11-7-8-13(4)10-9-12(2)3/h1,11H,6-10H2,2-4H3.
What are the key properties of N'-[2-(dimethylamino)ethyl]-N'-methyl-N-prop-2-ynylethane-1,2-diamine?
N'-[2-(dimethylamino)ethyl]-N'-methyl-N-prop-2-ynylethane-1,2-diamine has a molecular weight of 183.30 g/mol, XLogP of -0.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)ethyl]-N'-methyl-N-prop-2-ynylethane-1,2-diamine is sourced from PubChem (CID 63726172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).