2-N,2-N-dibenzyl-3-methoxy-2-methylpropane-1,2-diamine

C19H26N2O — CID 130158297

IUPAC2-N,2-N-dibenzyl-3-methoxy-2-methylpropane-1,2-diamine
SMILESCOCC(C)(CN)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H26N2O/c1-19(15-20,16-22-2)21(13-17-9-5-3-6-10-17)14-18-11-7-4-8-12-18/h3-12H,13-16,20H2,1-2H3
InChIKeyFFTBMHHCKYGCAL-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.05
Rot. Bonds8

About 2-N,2-N-dibenzyl-3-methoxy-2-methylpropane-1,2-diamine

2-N,2-N-dibenzyl-3-methoxy-2-methylpropane-1,2-diamine (PubChem CID 130158297) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-N,2-N-dibenzyl-3-methoxy-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dibenzyl-3-methoxy-2-methylpropane-1,2-diamine
PubChem CID130158297
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name2-N,2-N-dibenzyl-3-methoxy-2-methylpropane-1,2-diamine
SMILESCOCC(C)(CN)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H26N2O/c1-19(15-20,16-22-2)21(13-17-9-5-3-6-10-17)14-18-11-7-4-8-12-18/h3-12H,13-16,20H2,1-2H3
InChIKeyFFTBMHHCKYGCAL-UHFFFAOYSA-N
XLogP3.05
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-benzyl-2-N-(2-methoxyethyl)-2-methylpropane-1,2-diamine
CID 130979555
2-N-benzyl-2-N,2-dimethylbutane-1,2-diamine
CID 24696909
2-N-benzyl-2-N-ethyl-2-methylnonane-1,2-diamine
CID 43130163
N,N-dibenzyl-1-phenylmethanamine;2-methylpropane-1,2-diamine
CID 174802109
1-N-benzyl-1-N-ethyl-3-methoxy-2-methylpropane-1,2-diamine
CID 131049038
N-benzyl-N-(methoxymethyl)-2-methylsilylpropan-2-amine
CID 173035203
N,N-dibenzyl-3-methylheptan-3-amine
CID 164668379
2-benzyl-3-methoxy-2-phenylpropan-1-amine
CID 139652108
2-N-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-methylbutane-1,2-diamine
CID 55139466
2-N-ethyl-2-methyl-2-N-[(4-methylphenyl)methyl]butane-1,2-diamine
CID 62009981
N,N-dibenzyl-2-methyl-1-phenylhexan-2-amine
CID 164668380
N'-benzyl-N',2,2-trimethylpropane-1,3-diamine
CID 62262842

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dibenzyl-3-methoxy-2-methylpropane-1,2-diamine?
The IUPAC name of 2-N,2-N-dibenzyl-3-methoxy-2-methylpropane-1,2-diamine (CID 130158297) is 2-N,2-N-dibenzyl-3-methoxy-2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dibenzyl-3-methoxy-2-methylpropane-1,2-diamine?
The canonical SMILES for 2-N,2-N-dibenzyl-3-methoxy-2-methylpropane-1,2-diamine is COCC(C)(CN)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-N,2-N-dibenzyl-3-methoxy-2-methylpropane-1,2-diamine?
The InChIKey is FFTBMHHCKYGCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-19(15-20,16-22-2)21(13-17-9-5-3-6-10-17)14-18-11-7-4-8-12-18/h3-12H,13-16,20H2,1-2H3.
What are the key properties of 2-N,2-N-dibenzyl-3-methoxy-2-methylpropane-1,2-diamine?
2-N,2-N-dibenzyl-3-methoxy-2-methylpropane-1,2-diamine has a molecular weight of 298.43 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dibenzyl-3-methoxy-2-methylpropane-1,2-diamine is sourced from PubChem (CID 130158297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).