2-[bis(prop-2-enyl)amino]ethyl 2,2-diaminoacetate

C10H19N3O2 — CID 88985186

IUPAC2-[bis(prop-2-enyl)amino]ethyl 2,2-diaminoacetate
SMILESC=CCN(CC=C)CCOC(=O)C(N)N
InChIInChI=1S/C10H19N3O2/c1-3-5-13(6-4-2)7-8-15-10(14)9(11)12/h3-4,9H,1-2,5-8,11-12H2
InChIKeyLPTLPTPEVYQDQT-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.55
Rot. Bonds8

About 2-[bis(prop-2-enyl)amino]ethyl 2,2-diaminoacetate

2-[bis(prop-2-enyl)amino]ethyl 2,2-diaminoacetate (PubChem CID 88985186) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)amino]ethyl 2,2-diaminoacetate.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)amino]ethyl 2,2-diaminoacetate
PubChem CID88985186
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2-[bis(prop-2-enyl)amino]ethyl 2,2-diaminoacetate
SMILESC=CCN(CC=C)CCOC(=O)C(N)N
InChIInChI=1S/C10H19N3O2/c1-3-5-13(6-4-2)7-8-15-10(14)9(11)12/h3-4,9H,1-2,5-8,11-12H2
InChIKeyLPTLPTPEVYQDQT-UHFFFAOYSA-N
XLogP-0.55
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-buta-1,3-dien-2-yloxyethyl)-N-prop-2-enylprop-2-en-1-amine
CID 89089024
2-(2,2-diaminoacetyl)oxyethyl 2,2-diaminoacetate;ethene
CID 173132069
3-[bis(prop-2-enyl)amino]propyl acetate
CID 87133425
1,5-bis[bis(prop-2-enyl)amino]pentan-3-one
CID 174738090
2-[bis(2-prop-2-enoxyethyl)amino]ethyl prop-2-enoate
CID 140686718
N,N-bis(prop-2-enyl)prop-2-en-1-amine;carbonic acid
CID 173029925
2-[2-propan-2-yloxyethyl(prop-2-enyl)amino]acetic acid
CID 79277607
1-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine
CID 103339269
ethyl 2-[2-(2-methylpropoxy)ethyl-prop-2-enylamino]acetate
CID 106456146
1-[4-[2-[bis(prop-2-enyl)amino]ethoxy]phenyl]ethanone
CID 71386650
2-[bis(4-methylpentyl)amino]ethyl prop-2-enoate
CID 54081174
ethyl 7-[bis(prop-2-enyl)amino]heptanoate
CID 15467062

Frequently Asked Questions

What is the IUPAC name of 2-[bis(prop-2-enyl)amino]ethyl 2,2-diaminoacetate?
The IUPAC name of 2-[bis(prop-2-enyl)amino]ethyl 2,2-diaminoacetate (CID 88985186) is 2-[bis(prop-2-enyl)amino]ethyl 2,2-diaminoacetate.
What is the SMILES notation for 2-[bis(prop-2-enyl)amino]ethyl 2,2-diaminoacetate?
The canonical SMILES for 2-[bis(prop-2-enyl)amino]ethyl 2,2-diaminoacetate is C=CCN(CC=C)CCOC(=O)C(N)N.
What is the InChIKey of 2-[bis(prop-2-enyl)amino]ethyl 2,2-diaminoacetate?
The InChIKey is LPTLPTPEVYQDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-3-5-13(6-4-2)7-8-15-10(14)9(11)12/h3-4,9H,1-2,5-8,11-12H2.
What are the key properties of 2-[bis(prop-2-enyl)amino]ethyl 2,2-diaminoacetate?
2-[bis(prop-2-enyl)amino]ethyl 2,2-diaminoacetate has a molecular weight of 213.28 g/mol, XLogP of -0.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(prop-2-enyl)amino]ethyl 2,2-diaminoacetate is sourced from PubChem (CID 88985186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).