3,3-dimethoxy-2-N,2-dimethyl-2-N-(3-methylphenyl)propane-1,2-diamine

C14H24N2O2 — CID 66178471

IUPAC3,3-dimethoxy-2-N,2-dimethyl-2-N-(3-methylphenyl)propane-1,2-diamine
SMILESCOC(OC)C(C)(CN)N(C)c1cccc(C)c1
InChIInChI=1S/C14H24N2O2/c1-11-7-6-8-12(9-11)16(3)14(2,10-15)13(17-4)18-5/h6-9,13H,10,15H2,1-5H3
InChIKeyWLZPXNMVJSVVKS-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.77
Rot. Bonds6

About 3,3-dimethoxy-2-N,2-dimethyl-2-N-(3-methylphenyl)propane-1,2-diamine

3,3-dimethoxy-2-N,2-dimethyl-2-N-(3-methylphenyl)propane-1,2-diamine (PubChem CID 66178471) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3,3-dimethoxy-2-N,2-dimethyl-2-N-(3-methylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name3,3-dimethoxy-2-N,2-dimethyl-2-N-(3-methylphenyl)propane-1,2-diamine
PubChem CID66178471
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3,3-dimethoxy-2-N,2-dimethyl-2-N-(3-methylphenyl)propane-1,2-diamine
SMILESCOC(OC)C(C)(CN)N(C)c1cccc(C)c1
InChIInChI=1S/C14H24N2O2/c1-11-7-6-8-12(9-11)16(3)14(2,10-15)13(17-4)18-5/h6-9,13H,10,15H2,1-5H3
InChIKeyWLZPXNMVJSVVKS-UHFFFAOYSA-N
XLogP1.77
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-N,4,4-trimethyl-2-N-(3-methylphenyl)pentane-1,2-diamine
CID 62950232
2-N-[(3-bromophenyl)methyl]-3,3-dimethoxy-2-N,2-dimethylpropane-1,2-diamine
CID 66179643
4-amino-3-methoxy-N-methyl-N-(3-methylphenyl)butanamide
CID 103155733
2-cyclopropyl-2-N-methyl-2-N-(3-methylphenyl)butane-1,2-diamine
CID 64918033
4,4-dimethoxy-2-N,2-dimethyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine
CID 66180213
N-[4-(aminomethyl)phenyl]-N,3-dimethylaniline
CID 62001605
N-(2-iodoethyl)-N,3-dimethylaniline
CID 130693336
2-(N,3-dimethylanilino)-3-methoxy-2-methylpropanoic acid
CID 115001950
2-(aminomethyl)-N,2-dimethyl-N-(3-methylphenyl)butanamide
CID 113270071
3,3-dimethoxy-2-N-[(2-methoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 66179840
methyl 4-(N,3-dimethylanilino)-2-(propan-2-ylamino)butanoate
CID 63053650
methyl 2-amino-4-(N,3-dimethylanilino)butanoate
CID 63053473

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethoxy-2-N,2-dimethyl-2-N-(3-methylphenyl)propane-1,2-diamine?
The IUPAC name of 3,3-dimethoxy-2-N,2-dimethyl-2-N-(3-methylphenyl)propane-1,2-diamine (CID 66178471) is 3,3-dimethoxy-2-N,2-dimethyl-2-N-(3-methylphenyl)propane-1,2-diamine.
What is the SMILES notation for 3,3-dimethoxy-2-N,2-dimethyl-2-N-(3-methylphenyl)propane-1,2-diamine?
The canonical SMILES for 3,3-dimethoxy-2-N,2-dimethyl-2-N-(3-methylphenyl)propane-1,2-diamine is COC(OC)C(C)(CN)N(C)c1cccc(C)c1.
What is the InChIKey of 3,3-dimethoxy-2-N,2-dimethyl-2-N-(3-methylphenyl)propane-1,2-diamine?
The InChIKey is WLZPXNMVJSVVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-11-7-6-8-12(9-11)16(3)14(2,10-15)13(17-4)18-5/h6-9,13H,10,15H2,1-5H3.
What are the key properties of 3,3-dimethoxy-2-N,2-dimethyl-2-N-(3-methylphenyl)propane-1,2-diamine?
3,3-dimethoxy-2-N,2-dimethyl-2-N-(3-methylphenyl)propane-1,2-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethoxy-2-N,2-dimethyl-2-N-(3-methylphenyl)propane-1,2-diamine is sourced from PubChem (CID 66178471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).