2-[bis(methylamino)amino]ethyl prop-2-enoate

C7H15N3O2 — CID 150657470

IUPAC2-[bis(methylamino)amino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCN(NC)NC
InChIInChI=1S/C7H15N3O2/c1-4-7(11)12-6-5-10(8-2)9-3/h4,8-9H,1,5-6H2,2-3H3
InChIKeyJDDSXIWHLURWNI-UHFFFAOYSA-N
MW173.22 g/mol
LogP-0.71
Rot. Bonds6

About 2-[bis(methylamino)amino]ethyl prop-2-enoate

2-[bis(methylamino)amino]ethyl prop-2-enoate (PubChem CID 150657470) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-[bis(methylamino)amino]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[bis(methylamino)amino]ethyl prop-2-enoate
PubChem CID150657470
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name2-[bis(methylamino)amino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCN(NC)NC
InChIInChI=1S/C7H15N3O2/c1-4-7(11)12-6-5-10(8-2)9-3/h4,8-9H,1,5-6H2,2-3H3
InChIKeyJDDSXIWHLURWNI-UHFFFAOYSA-N
XLogP-0.71
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[bis(ethenyl)amino]ethyl prop-2-enoate
CID 87899384
bromoethane;2-(dimethylamino)ethyl prop-2-enoate
CID 174957893
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-[bis(4-methylpentyl)amino]ethyl prop-2-enoate
CID 54081174
2-aminoethyl prop-2-enoate;N,N-dimethylmethanamine
CID 172733974
CID 174984966
CID 174984966
2-[acetyl(propyl)amino]ethyl prop-2-enoate
CID 118477118
2-[methyl(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)amino]ethyl prop-2-enoate
CID 121454155
methyl 3-prop-2-enoyloxypropanoate
CID 14496497
2-aminoethyl prop-2-enoate;N,N-dimethylmethanamine;hydroiodide
CID 175248115
2-(dihexylamino)ethyl prop-2-enoate
CID 54463333
2-[bis(2-prop-2-enoxyethyl)amino]ethyl prop-2-enoate
CID 140686718

Frequently Asked Questions

What is the IUPAC name of 2-[bis(methylamino)amino]ethyl prop-2-enoate?
The IUPAC name of 2-[bis(methylamino)amino]ethyl prop-2-enoate (CID 150657470) is 2-[bis(methylamino)amino]ethyl prop-2-enoate.
What is the SMILES notation for 2-[bis(methylamino)amino]ethyl prop-2-enoate?
The canonical SMILES for 2-[bis(methylamino)amino]ethyl prop-2-enoate is C=CC(=O)OCCN(NC)NC.
What is the InChIKey of 2-[bis(methylamino)amino]ethyl prop-2-enoate?
The InChIKey is JDDSXIWHLURWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-4-7(11)12-6-5-10(8-2)9-3/h4,8-9H,1,5-6H2,2-3H3.
What are the key properties of 2-[bis(methylamino)amino]ethyl prop-2-enoate?
2-[bis(methylamino)amino]ethyl prop-2-enoate has a molecular weight of 173.22 g/mol, XLogP of -0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(methylamino)amino]ethyl prop-2-enoate is sourced from PubChem (CID 150657470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).