3-N,4-dimethyl-3-N-(oxan-2-ylmethyl)benzene-1,3-diamine

C14H22N2O — CID 55091165

IUPAC3-N,4-dimethyl-3-N-(oxan-2-ylmethyl)benzene-1,3-diamine
SMILESCc1ccc(N)cc1N(C)CC1CCCCO1
InChIInChI=1S/C14H22N2O/c1-11-6-7-12(15)9-14(11)16(2)10-13-5-3-4-8-17-13/h6-7,9,13H,3-5,8,10,15H2,1-2H3
InChIKeySIDSJZZDPNOOAS-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.58
Rot. Bonds3

About 3-N,4-dimethyl-3-N-(oxan-2-ylmethyl)benzene-1,3-diamine

3-N,4-dimethyl-3-N-(oxan-2-ylmethyl)benzene-1,3-diamine (PubChem CID 55091165) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-N,4-dimethyl-3-N-(oxan-2-ylmethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N,4-dimethyl-3-N-(oxan-2-ylmethyl)benzene-1,3-diamine
PubChem CID55091165
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-N,4-dimethyl-3-N-(oxan-2-ylmethyl)benzene-1,3-diamine
SMILESCc1ccc(N)cc1N(C)CC1CCCCO1
InChIInChI=1S/C14H22N2O/c1-11-6-7-12(15)9-14(11)16(2)10-13-5-3-4-8-17-13/h6-7,9,13H,3-5,8,10,15H2,1-2H3
InChIKeySIDSJZZDPNOOAS-UHFFFAOYSA-N
XLogP2.58
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-[methyl(oxan-2-ylmethyl)amino]benzonitrile
CID 61431148
1-N-methyl-1-N-(oxan-2-ylmethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 61431772
3-N-(cyclohexylmethyl)-3-N,4-dimethylbenzene-1,3-diamine
CID 62589993
2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine
CID 61431770
4-(2-aminoethyl)-2-chloro-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 81165783
4-(2-aminopropyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)aniline
CID 63794010
5-amino-N-cyclopentyl-2-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 120636361
4-methyl-2-[methyl(oxan-2-ylmethyl)amino]benzenecarbothioamide
CID 62303105
4-fluoro-1-N-methyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 61431331
5-amino-N-cyclopentyl-2-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 120636360
2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 61432443
5-amino-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 61431773

Frequently Asked Questions

What is the IUPAC name of 3-N,4-dimethyl-3-N-(oxan-2-ylmethyl)benzene-1,3-diamine?
The IUPAC name of 3-N,4-dimethyl-3-N-(oxan-2-ylmethyl)benzene-1,3-diamine (CID 55091165) is 3-N,4-dimethyl-3-N-(oxan-2-ylmethyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N,4-dimethyl-3-N-(oxan-2-ylmethyl)benzene-1,3-diamine?
The canonical SMILES for 3-N,4-dimethyl-3-N-(oxan-2-ylmethyl)benzene-1,3-diamine is Cc1ccc(N)cc1N(C)CC1CCCCO1.
What is the InChIKey of 3-N,4-dimethyl-3-N-(oxan-2-ylmethyl)benzene-1,3-diamine?
The InChIKey is SIDSJZZDPNOOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-6-7-12(15)9-14(11)16(2)10-13-5-3-4-8-17-13/h6-7,9,13H,3-5,8,10,15H2,1-2H3.
What are the key properties of 3-N,4-dimethyl-3-N-(oxan-2-ylmethyl)benzene-1,3-diamine?
3-N,4-dimethyl-3-N-(oxan-2-ylmethyl)benzene-1,3-diamine has a molecular weight of 234.34 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,4-dimethyl-3-N-(oxan-2-ylmethyl)benzene-1,3-diamine is sourced from PubChem (CID 55091165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).