N,N'-bis(2-ethenoxyethyl)-2-methylidenepropane-1,3-diamine

C12H22N2O2 — CID 129257616

IUPACN,N'-bis(2-ethenoxyethyl)-2-methylidenepropane-1,3-diamine
SMILESC=COCCNCC(=C)CNCCOC=C
InChIInChI=1S/C12H22N2O2/c1-4-15-8-6-13-10-12(3)11-14-7-9-16-5-2/h4-5,13-14H,1-3,6-11H2
InChIKeyNSWIBZIUVLDGBC-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.04
Rot. Bonds12

About N,N'-bis(2-ethenoxyethyl)-2-methylidenepropane-1,3-diamine

N,N'-bis(2-ethenoxyethyl)-2-methylidenepropane-1,3-diamine (PubChem CID 129257616) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N,N'-bis(2-ethenoxyethyl)-2-methylidenepropane-1,3-diamine.

Molecular Properties

Compound NameN,N'-bis(2-ethenoxyethyl)-2-methylidenepropane-1,3-diamine
PubChem CID129257616
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN,N'-bis(2-ethenoxyethyl)-2-methylidenepropane-1,3-diamine
SMILESC=COCCNCC(=C)CNCCOC=C
InChIInChI=1S/C12H22N2O2/c1-4-15-8-6-13-10-12(3)11-14-7-9-16-5-2/h4-5,13-14H,1-3,6-11H2
InChIKeyNSWIBZIUVLDGBC-UHFFFAOYSA-N
XLogP1.04
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-ethenoxyethyl)-2-methylidenepropane-1,3-diamine?
The IUPAC name of N,N'-bis(2-ethenoxyethyl)-2-methylidenepropane-1,3-diamine (CID 129257616) is N,N'-bis(2-ethenoxyethyl)-2-methylidenepropane-1,3-diamine.
What is the SMILES notation for N,N'-bis(2-ethenoxyethyl)-2-methylidenepropane-1,3-diamine?
The canonical SMILES for N,N'-bis(2-ethenoxyethyl)-2-methylidenepropane-1,3-diamine is C=COCCNCC(=C)CNCCOC=C.
What is the InChIKey of N,N'-bis(2-ethenoxyethyl)-2-methylidenepropane-1,3-diamine?
The InChIKey is NSWIBZIUVLDGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-15-8-6-13-10-12(3)11-14-7-9-16-5-2/h4-5,13-14H,1-3,6-11H2.
What are the key properties of N,N'-bis(2-ethenoxyethyl)-2-methylidenepropane-1,3-diamine?
N,N'-bis(2-ethenoxyethyl)-2-methylidenepropane-1,3-diamine has a molecular weight of 226.32 g/mol, XLogP of 1.04, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-ethenoxyethyl)-2-methylidenepropane-1,3-diamine is sourced from PubChem (CID 129257616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).