1-N,1-N,2-N-trimethyl-2-N-[[(3R)-oxolan-3-yl]methyl]benzene-1,2-diamine

C14H22N2O — CID 97327924

IUPAC1-N,1-N,2-N-trimethyl-2-N-[[(3R)-oxolan-3-yl]methyl]benzene-1,2-diamine
SMILESCN(C)c1ccccc1N(C)C[C@H]1CCOC1
InChIInChI=1S/C14H22N2O/c1-15(2)13-6-4-5-7-14(13)16(3)10-12-8-9-17-11-12/h4-7,12H,8-11H2,1-3H3/t12-/m1/s1
InChIKeyXPBUUYWOVCOHQQ-GFCCVEGCSA-N
MW234.34 g/mol
LogP2.23
Rot. Bonds4

About 1-N,1-N,2-N-trimethyl-2-N-[[(3R)-oxolan-3-yl]methyl]benzene-1,2-diamine

1-N,1-N,2-N-trimethyl-2-N-[[(3R)-oxolan-3-yl]methyl]benzene-1,2-diamine (PubChem CID 97327924) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-N,1-N,2-N-trimethyl-2-N-[[(3R)-oxolan-3-yl]methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,2-N-trimethyl-2-N-[[(3R)-oxolan-3-yl]methyl]benzene-1,2-diamine
PubChem CID97327924
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-N,1-N,2-N-trimethyl-2-N-[[(3R)-oxolan-3-yl]methyl]benzene-1,2-diamine
SMILESCN(C)c1ccccc1N(C)C[C@H]1CCOC1
InChIInChI=1S/C14H22N2O/c1-15(2)13-6-4-5-7-14(13)16(3)10-12-8-9-17-11-12/h4-7,12H,8-11H2,1-3H3/t12-/m1/s1
InChIKeyXPBUUYWOVCOHQQ-GFCCVEGCSA-N
XLogP2.23
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,2-N-trimethyl-2-N-[[(3R)-oxolan-3-yl]methyl]benzene-1,2-diamine?
The IUPAC name of 1-N,1-N,2-N-trimethyl-2-N-[[(3R)-oxolan-3-yl]methyl]benzene-1,2-diamine (CID 97327924) is 1-N,1-N,2-N-trimethyl-2-N-[[(3R)-oxolan-3-yl]methyl]benzene-1,2-diamine.
What is the SMILES notation for 1-N,1-N,2-N-trimethyl-2-N-[[(3R)-oxolan-3-yl]methyl]benzene-1,2-diamine?
The canonical SMILES for 1-N,1-N,2-N-trimethyl-2-N-[[(3R)-oxolan-3-yl]methyl]benzene-1,2-diamine is CN(C)c1ccccc1N(C)C[C@H]1CCOC1.
What is the InChIKey of 1-N,1-N,2-N-trimethyl-2-N-[[(3R)-oxolan-3-yl]methyl]benzene-1,2-diamine?
The InChIKey is XPBUUYWOVCOHQQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N2O/c1-15(2)13-6-4-5-7-14(13)16(3)10-12-8-9-17-11-12/h4-7,12H,8-11H2,1-3H3/t12-/m1/s1.
What are the key properties of 1-N,1-N,2-N-trimethyl-2-N-[[(3R)-oxolan-3-yl]methyl]benzene-1,2-diamine?
1-N,1-N,2-N-trimethyl-2-N-[[(3R)-oxolan-3-yl]methyl]benzene-1,2-diamine has a molecular weight of 234.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,2-N-trimethyl-2-N-[[(3R)-oxolan-3-yl]methyl]benzene-1,2-diamine is sourced from PubChem (CID 97327924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).