N,N'-ditert-butyl-2-prop-2-enoxypropane-1,3-diamine

C14H30N2O — CID 134558566

IUPACN,N'-ditert-butyl-2-prop-2-enoxypropane-1,3-diamine
SMILESC=CCOC(CNC(C)(C)C)CNC(C)(C)C
InChIInChI=1S/C14H30N2O/c1-8-9-17-12(10-15-13(2,3)4)11-16-14(5,6)7/h8,12,15-16H,1,9-11H2,2-7H3
InChIKeyWBMNNKJURLLOJB-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.33
Rot. Bonds7

About N,N'-ditert-butyl-2-prop-2-enoxypropane-1,3-diamine

N,N'-ditert-butyl-2-prop-2-enoxypropane-1,3-diamine (PubChem CID 134558566) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N,N'-ditert-butyl-2-prop-2-enoxypropane-1,3-diamine.

Molecular Properties

Compound NameN,N'-ditert-butyl-2-prop-2-enoxypropane-1,3-diamine
PubChem CID134558566
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN,N'-ditert-butyl-2-prop-2-enoxypropane-1,3-diamine
SMILESC=CCOC(CNC(C)(C)C)CNC(C)(C)C
InChIInChI=1S/C14H30N2O/c1-8-9-17-12(10-15-13(2,3)4)11-16-14(5,6)7/h8,12,15-16H,1,9-11H2,2-7H3
InChIKeyWBMNNKJURLLOJB-UHFFFAOYSA-N
XLogP2.33
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-ditert-butyl-2-prop-2-enoxypropane-1,3-diamine?
The IUPAC name of N,N'-ditert-butyl-2-prop-2-enoxypropane-1,3-diamine (CID 134558566) is N,N'-ditert-butyl-2-prop-2-enoxypropane-1,3-diamine.
What is the SMILES notation for N,N'-ditert-butyl-2-prop-2-enoxypropane-1,3-diamine?
The canonical SMILES for N,N'-ditert-butyl-2-prop-2-enoxypropane-1,3-diamine is C=CCOC(CNC(C)(C)C)CNC(C)(C)C.
What is the InChIKey of N,N'-ditert-butyl-2-prop-2-enoxypropane-1,3-diamine?
The InChIKey is WBMNNKJURLLOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-8-9-17-12(10-15-13(2,3)4)11-16-14(5,6)7/h8,12,15-16H,1,9-11H2,2-7H3.
What are the key properties of N,N'-ditert-butyl-2-prop-2-enoxypropane-1,3-diamine?
N,N'-ditert-butyl-2-prop-2-enoxypropane-1,3-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-ditert-butyl-2-prop-2-enoxypropane-1,3-diamine is sourced from PubChem (CID 134558566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).