3-methoxy-2-methyl-2-N-prop-2-enylpropane-1,2-diamine

C8H18N2O — CID 65384509

IUPAC3-methoxy-2-methyl-2-N-prop-2-enylpropane-1,2-diamine
SMILESC=CCNC(C)(CN)COC
InChIInChI=1S/C8H18N2O/c1-4-5-10-8(2,6-9)7-11-3/h4,10H,1,5-7,9H2,2-3H3
InChIKeySRYUZLBIJVAXGS-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.13
Rot. Bonds6

About 3-methoxy-2-methyl-2-N-prop-2-enylpropane-1,2-diamine

3-methoxy-2-methyl-2-N-prop-2-enylpropane-1,2-diamine (PubChem CID 65384509) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 3-methoxy-2-methyl-2-N-prop-2-enylpropane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-2-methyl-2-N-prop-2-enylpropane-1,2-diamine
PubChem CID65384509
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name3-methoxy-2-methyl-2-N-prop-2-enylpropane-1,2-diamine
SMILESC=CCNC(C)(CN)COC
InChIInChI=1S/C8H18N2O/c1-4-5-10-8(2,6-9)7-11-3/h4,10H,1,5-7,9H2,2-3H3
InChIKeySRYUZLBIJVAXGS-UHFFFAOYSA-N
XLogP0.13
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methoxy-2-methyl-2-N-prop-2-enylpropane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2-methoxyethyl)ethane-1,2-diamine;2-methylbut-2-ene
CID 144259040
N-(2-methoxyethyl)-2-methylbut-3-en-2-amine
CID 163848175
1-ethoxy-N,N'-bis(prop-2-enyl)ethane-1,2-diamine
CID 177311389
2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-1-N-prop-2-enylpropane-1,2-diamine
CID 55087909
2-N-(2-methoxyethyl)-2-N-pentan-3-yl-1-N-prop-2-enylpropane-1,2-diamine
CID 55087911
N-(2-methoxyethyl)-N'-methyl-N'-prop-2-enylethane-1,2-diamine
CID 62381598
3-Methoxy-2-methyl-2-(prop-2-enylamino)propanenitrile
CID 62534748
N'-(2-methoxyethyl)-N'-(2-methylpropyl)-N-prop-2-enylethane-1,2-diamine
CID 62553698
N'-ethyl-N'-(2-methoxyethyl)-N-prop-2-enylethane-1,2-diamine
CID 62554306
N'-ethyl-N'-(1-methoxypropan-2-yl)-N-prop-2-enylethane-1,2-diamine
CID 62554345
N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-prop-2-enylethane-1,2-diamine
CID 62555118
N'-(1-methoxypropan-2-yl)-N'-methyl-N-prop-2-enylethane-1,2-diamine
CID 62555993

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-2-N-prop-2-enylpropane-1,2-diamine?
The IUPAC name of 3-methoxy-2-methyl-2-N-prop-2-enylpropane-1,2-diamine (CID 65384509) is 3-methoxy-2-methyl-2-N-prop-2-enylpropane-1,2-diamine.
What is the SMILES notation for 3-methoxy-2-methyl-2-N-prop-2-enylpropane-1,2-diamine?
The canonical SMILES for 3-methoxy-2-methyl-2-N-prop-2-enylpropane-1,2-diamine is C=CCNC(C)(CN)COC.
What is the InChIKey of 3-methoxy-2-methyl-2-N-prop-2-enylpropane-1,2-diamine?
The InChIKey is SRYUZLBIJVAXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-4-5-10-8(2,6-9)7-11-3/h4,10H,1,5-7,9H2,2-3H3.
What are the key properties of 3-methoxy-2-methyl-2-N-prop-2-enylpropane-1,2-diamine?
3-methoxy-2-methyl-2-N-prop-2-enylpropane-1,2-diamine has a molecular weight of 158.25 g/mol, XLogP of 0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-2-N-prop-2-enylpropane-1,2-diamine is sourced from PubChem (CID 65384509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).