4-methoxy-4-methyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine

C11H24N2O — CID 106675832

IUPAC4-methoxy-4-methyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine
SMILESC=C(C)CNC(CN)CC(C)(C)OC
InChIInChI=1S/C11H24N2O/c1-9(2)8-13-10(7-12)6-11(3,4)14-5/h10,13H,1,6-8,12H2,2-5H3
InChIKeyNGYPSXLMHVDGQV-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.29
Rot. Bonds7

About 4-methoxy-4-methyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine

4-methoxy-4-methyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine (PubChem CID 106675832) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 4-methoxy-4-methyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-4-methyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine
PubChem CID106675832
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name4-methoxy-4-methyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine
SMILESC=C(C)CNC(CN)CC(C)(C)OC
InChIInChI=1S/C11H24N2O/c1-9(2)8-13-10(7-12)6-11(3,4)14-5/h10,13H,1,6-8,12H2,2-5H3
InChIKeyNGYPSXLMHVDGQV-UHFFFAOYSA-N
XLogP1.29
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-4-methoxy-1-N,4-dimethylpentane-1,2-diamine
CID 88939090
4-methoxy-4-methyl-N-prop-2-enylpentan-2-amine
CID 43146954
4-methoxy-4-methyl-N-(3-methylbut-2-enyl)pentan-2-amine
CID 103522623
4-methoxy-2-N,4-dimethylpentane-1,2-diamine
CID 106675654
2-N-ethyl-4-methoxy-4-methylpentane-1,2-diamine
CID 106675655
4-methoxy-4-methyl-2-N-propylpentane-1,2-diamine
CID 106675656
4-methoxy-4-methyl-2-N-propan-2-ylpentane-1,2-diamine
CID 106675657
2-N-cyclopropyl-4-methoxy-4-methylpentane-1,2-diamine
CID 106675658
4-methoxy-4-methyl-2-N-prop-2-enylpentane-1,2-diamine
CID 106675727
2-N-butan-2-yl-4-methoxy-4-methylpentane-1,2-diamine
CID 106675729
4-methoxy-4-methyl-2-N-(2-methylpropyl)pentane-1,2-diamine
CID 106675730
2-N-cyclopentyl-4-methoxy-4-methylpentane-1,2-diamine
CID 106675731

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine?
The IUPAC name of 4-methoxy-4-methyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine (CID 106675832) is 4-methoxy-4-methyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine.
What is the SMILES notation for 4-methoxy-4-methyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine?
The canonical SMILES for 4-methoxy-4-methyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine is C=C(C)CNC(CN)CC(C)(C)OC.
What is the InChIKey of 4-methoxy-4-methyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine?
The InChIKey is NGYPSXLMHVDGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-9(2)8-13-10(7-12)6-11(3,4)14-5/h10,13H,1,6-8,12H2,2-5H3.
What are the key properties of 4-methoxy-4-methyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine?
4-methoxy-4-methyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine has a molecular weight of 200.33 g/mol, XLogP of 1.29, 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-(2-methylprop-2-enyl)pentane-1,2-diamine is sourced from PubChem (CID 106675832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).