4-methoxy-4-methyl-2-N-prop-2-enylpentane-1,2-diamine

C10H22N2O — CID 106675727

IUPAC4-methoxy-4-methyl-2-N-prop-2-enylpentane-1,2-diamine
SMILESC=CCNC(CN)CC(C)(C)OC
InChIInChI=1S/C10H22N2O/c1-5-6-12-9(8-11)7-10(2,3)13-4/h5,9,12H,1,6-8,11H2,2-4H3
InChIKeyUVGGDLIPAGVNTQ-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.90
Rot. Bonds7

About 4-methoxy-4-methyl-2-N-prop-2-enylpentane-1,2-diamine

4-methoxy-4-methyl-2-N-prop-2-enylpentane-1,2-diamine (PubChem CID 106675727) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 4-methoxy-4-methyl-2-N-prop-2-enylpentane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-4-methyl-2-N-prop-2-enylpentane-1,2-diamine
PubChem CID106675727
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name4-methoxy-4-methyl-2-N-prop-2-enylpentane-1,2-diamine
SMILESC=CCNC(CN)CC(C)(C)OC
InChIInChI=1S/C10H22N2O/c1-5-6-12-9(8-11)7-10(2,3)13-4/h5,9,12H,1,6-8,11H2,2-4H3
InChIKeyUVGGDLIPAGVNTQ-UHFFFAOYSA-N
XLogP0.90
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.90
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 4-methoxy-4-methyl-2-N-prop-2-enylpentane-1,2-diamine?
The IUPAC name of 4-methoxy-4-methyl-2-N-prop-2-enylpentane-1,2-diamine (CID 106675727) is 4-methoxy-4-methyl-2-N-prop-2-enylpentane-1,2-diamine.
What is the SMILES notation for 4-methoxy-4-methyl-2-N-prop-2-enylpentane-1,2-diamine?
The canonical SMILES for 4-methoxy-4-methyl-2-N-prop-2-enylpentane-1,2-diamine is C=CCNC(CN)CC(C)(C)OC.
What is the InChIKey of 4-methoxy-4-methyl-2-N-prop-2-enylpentane-1,2-diamine?
The InChIKey is UVGGDLIPAGVNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-5-6-12-9(8-11)7-10(2,3)13-4/h5,9,12H,1,6-8,11H2,2-4H3.
What are the key properties of 4-methoxy-4-methyl-2-N-prop-2-enylpentane-1,2-diamine?
4-methoxy-4-methyl-2-N-prop-2-enylpentane-1,2-diamine has a molecular weight of 186.30 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-2-N-prop-2-enylpentane-1,2-diamine is sourced from PubChem (CID 106675727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).