4-methoxy-1-N,1-N-bis(prop-2-enyl)butane-1,2-diamine

C11H22N2O — CID 62477661

IUPAC4-methoxy-1-N,1-N-bis(prop-2-enyl)butane-1,2-diamine
SMILESC=CCN(CC=C)CC(N)CCOC
InChIInChI=1S/C11H22N2O/c1-4-7-13(8-5-2)10-11(12)6-9-14-3/h4-5,11H,1-2,6-10,12H2,3H3
InChIKeyIGTFTUOCLLYQFI-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.02
Rot. Bonds9

About 4-methoxy-1-N,1-N-bis(prop-2-enyl)butane-1,2-diamine

4-methoxy-1-N,1-N-bis(prop-2-enyl)butane-1,2-diamine (PubChem CID 62477661) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-methoxy-1-N,1-N-bis(prop-2-enyl)butane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-1-N,1-N-bis(prop-2-enyl)butane-1,2-diamine
PubChem CID62477661
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4-methoxy-1-N,1-N-bis(prop-2-enyl)butane-1,2-diamine
SMILESC=CCN(CC=C)CC(N)CCOC
InChIInChI=1S/C11H22N2O/c1-4-7-13(8-5-2)10-11(12)6-9-14-3/h4-5,11H,1-2,6-10,12H2,3H3
InChIKeyIGTFTUOCLLYQFI-UHFFFAOYSA-N
XLogP1.02
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.02
H-Bond Donors ≤ 51
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 4-methoxy-1-N,1-N-bis(prop-2-enyl)butane-1,2-diamine?
The IUPAC name of 4-methoxy-1-N,1-N-bis(prop-2-enyl)butane-1,2-diamine (CID 62477661) is 4-methoxy-1-N,1-N-bis(prop-2-enyl)butane-1,2-diamine.
What is the SMILES notation for 4-methoxy-1-N,1-N-bis(prop-2-enyl)butane-1,2-diamine?
The canonical SMILES for 4-methoxy-1-N,1-N-bis(prop-2-enyl)butane-1,2-diamine is C=CCN(CC=C)CC(N)CCOC.
What is the InChIKey of 4-methoxy-1-N,1-N-bis(prop-2-enyl)butane-1,2-diamine?
The InChIKey is IGTFTUOCLLYQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-7-13(8-5-2)10-11(12)6-9-14-3/h4-5,11H,1-2,6-10,12H2,3H3.
What are the key properties of 4-methoxy-1-N,1-N-bis(prop-2-enyl)butane-1,2-diamine?
4-methoxy-1-N,1-N-bis(prop-2-enyl)butane-1,2-diamine has a molecular weight of 198.31 g/mol, XLogP of 1.02, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-N,1-N-bis(prop-2-enyl)butane-1,2-diamine is sourced from PubChem (CID 62477661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).