2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(prop-2-enylamino)ethyl]propane-1,2-diamine

C12H27N3 — CID 103189471

IUPAC2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(prop-2-enylamino)ethyl]propane-1,2-diamine
SMILESC=CCNCCN(CC)C(C)CN(C)C
InChIInChI=1S/C12H27N3/c1-6-8-13-9-10-15(7-2)12(3)11-14(4)5/h6,12-13H,1,7-11H2,2-5H3
InChIKeyFPRZKPDKGKHUCK-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.03
Rot. Bonds9

About 2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(prop-2-enylamino)ethyl]propane-1,2-diamine

2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(prop-2-enylamino)ethyl]propane-1,2-diamine (PubChem CID 103189471) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(prop-2-enylamino)ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(prop-2-enylamino)ethyl]propane-1,2-diamine
PubChem CID103189471
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(prop-2-enylamino)ethyl]propane-1,2-diamine
SMILESC=CCNCCN(CC)C(C)CN(C)C
InChIInChI=1S/C12H27N3/c1-6-8-13-9-10-15(7-2)12(3)11-14(4)5/h6,12-13H,1,7-11H2,2-5H3
InChIKeyFPRZKPDKGKHUCK-UHFFFAOYSA-N
XLogP1.03
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N'-propan-2-yl-N-prop-2-enylethane-1,2-diamine
CID 62574549
2-N,2-N-diethyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62557121
N'-butan-2-yl-N'-butyl-N-prop-2-enylethane-1,2-diamine
CID 62558135
N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N-prop-2-enylethane-1,2-diamine
CID 62556998
3-[1-(dimethylamino)propan-2-yl-ethylamino]propane-1-thiol
CID 103192376
2-N-(2-anilinoethyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189572
2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(pyridin-3-ylmethylamino)ethyl]propane-1,2-diamine
CID 103191849
N'-(3,3-dimethylbutan-2-yl)-N'-methyl-N-prop-2-enylethane-1,2-diamine
CID 62553847
N'-[1-(dimethylamino)propan-2-yl]-N'-ethylbutane-1,4-diamine
CID 103187905
2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-[(2-methylcyclohexyl)amino]ethyl]propane-1,2-diamine
CID 103191827
17-methyl-N-prop-2-enyloctadecan-1-amine
CID 153323392
1-N,1-N,4-trimethyl-2-N-prop-2-enylpentane-1,2-diamine
CID 62140508

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(prop-2-enylamino)ethyl]propane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(prop-2-enylamino)ethyl]propane-1,2-diamine (CID 103189471) is 2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(prop-2-enylamino)ethyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(prop-2-enylamino)ethyl]propane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(prop-2-enylamino)ethyl]propane-1,2-diamine is C=CCNCCN(CC)C(C)CN(C)C.
What is the InChIKey of 2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(prop-2-enylamino)ethyl]propane-1,2-diamine?
The InChIKey is FPRZKPDKGKHUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-6-8-13-9-10-15(7-2)12(3)11-14(4)5/h6,12-13H,1,7-11H2,2-5H3.
What are the key properties of 2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(prop-2-enylamino)ethyl]propane-1,2-diamine?
2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(prop-2-enylamino)ethyl]propane-1,2-diamine has a molecular weight of 213.37 g/mol, XLogP of 1.03, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(prop-2-enylamino)ethyl]propane-1,2-diamine is sourced from PubChem (CID 103189471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).