3-methoxy-1-N,1-N-bis(2-methylpropyl)propane-1,2-diamine

C12H28N2O — CID 81101510

IUPAC3-methoxy-1-N,1-N-bis(2-methylpropyl)propane-1,2-diamine
SMILESCOCC(N)CN(CC(C)C)CC(C)C
InChIInChI=1S/C12H28N2O/c1-10(2)6-14(7-11(3)4)8-12(13)9-15-5/h10-12H,6-9,13H2,1-5H3
InChIKeyKJNHUECBQNAXIV-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.57
Rot. Bonds8

About 3-methoxy-1-N,1-N-bis(2-methylpropyl)propane-1,2-diamine

3-methoxy-1-N,1-N-bis(2-methylpropyl)propane-1,2-diamine (PubChem CID 81101510) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 3-methoxy-1-N,1-N-bis(2-methylpropyl)propane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-1-N,1-N-bis(2-methylpropyl)propane-1,2-diamine
PubChem CID81101510
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name3-methoxy-1-N,1-N-bis(2-methylpropyl)propane-1,2-diamine
SMILESCOCC(N)CN(CC(C)C)CC(C)C
InChIInChI=1S/C12H28N2O/c1-10(2)6-14(7-11(3)4)8-12(13)9-15-5/h10-12H,6-9,13H2,1-5H3
InChIKeyKJNHUECBQNAXIV-UHFFFAOYSA-N
XLogP1.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-N,1-N-bis(2-methylpropyl)propane-1,2-diamine?
The IUPAC name of 3-methoxy-1-N,1-N-bis(2-methylpropyl)propane-1,2-diamine (CID 81101510) is 3-methoxy-1-N,1-N-bis(2-methylpropyl)propane-1,2-diamine.
What is the SMILES notation for 3-methoxy-1-N,1-N-bis(2-methylpropyl)propane-1,2-diamine?
The canonical SMILES for 3-methoxy-1-N,1-N-bis(2-methylpropyl)propane-1,2-diamine is COCC(N)CN(CC(C)C)CC(C)C.
What is the InChIKey of 3-methoxy-1-N,1-N-bis(2-methylpropyl)propane-1,2-diamine?
The InChIKey is KJNHUECBQNAXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-10(2)6-14(7-11(3)4)8-12(13)9-15-5/h10-12H,6-9,13H2,1-5H3.
What are the key properties of 3-methoxy-1-N,1-N-bis(2-methylpropyl)propane-1,2-diamine?
3-methoxy-1-N,1-N-bis(2-methylpropyl)propane-1,2-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-N,1-N-bis(2-methylpropyl)propane-1,2-diamine is sourced from PubChem (CID 81101510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).