N'-(3,5-dimethylphenyl)-N',2-dimethylpropane-1,3-diamine

C13H22N2 — CID 62001860

IUPACN'-(3,5-dimethylphenyl)-N',2-dimethylpropane-1,3-diamine
SMILESCc1cc(C)cc(N(C)CC(C)CN)c1
InChIInChI=1S/C13H22N2/c1-10-5-11(2)7-13(6-10)15(4)9-12(3)8-14/h5-7,12H,8-9,14H2,1-4H3
InChIKeyPDPOMYNEGQIBGX-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.33
Rot. Bonds4

About N'-(3,5-dimethylphenyl)-N',2-dimethylpropane-1,3-diamine

N'-(3,5-dimethylphenyl)-N',2-dimethylpropane-1,3-diamine (PubChem CID 62001860) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N'-(3,5-dimethylphenyl)-N',2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3,5-dimethylphenyl)-N',2-dimethylpropane-1,3-diamine
PubChem CID62001860
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN'-(3,5-dimethylphenyl)-N',2-dimethylpropane-1,3-diamine
SMILESCc1cc(C)cc(N(C)CC(C)CN)c1
InChIInChI=1S/C13H22N2/c1-10-5-11(2)7-13(6-10)15(4)9-12(3)8-14/h5-7,12H,8-9,14H2,1-4H3
InChIKeyPDPOMYNEGQIBGX-UHFFFAOYSA-N
XLogP2.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(3,5-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine
CID 81079446
(2R)-1-N-(3,5-dimethylphenyl)-1-N,4-dimethylpentane-1,2-diamine
CID 112736590
N-[2-(bromomethyl)-3-methylbutyl]-N,3,5-trimethylaniline
CID 65011630
1-N-(3,5-dimethylphenyl)-1-N,2,2-trimethylbutane-1,3-diamine
CID 66453644
N'-(1,2-dimethylbenzimidazol-5-yl)-N',2-dimethylpropane-1,3-diamine
CID 115198422
N',2-dimethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine
CID 63228923
N',2-dimethyl-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 54991803
N',2-dimethyl-N'-(6-methyl-1,3-benzodioxol-5-yl)propane-1,3-diamine
CID 115198438
N',2-dimethyl-N'-(3-methylthiophen-2-yl)propane-1,3-diamine
CID 115198451
N'-(5-chloro-2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 115198408
4-amino-N,3-dimethyl-N-(2,4,6-trimethylphenyl)butanamide
CID 115156292
N',2-dimethyl-N'-(4-methylpyrimidin-2-yl)propane-1,3-diamine
CID 62960170

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethylphenyl)-N',2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-(3,5-dimethylphenyl)-N',2-dimethylpropane-1,3-diamine (CID 62001860) is N'-(3,5-dimethylphenyl)-N',2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(3,5-dimethylphenyl)-N',2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-(3,5-dimethylphenyl)-N',2-dimethylpropane-1,3-diamine is Cc1cc(C)cc(N(C)CC(C)CN)c1.
What is the InChIKey of N'-(3,5-dimethylphenyl)-N',2-dimethylpropane-1,3-diamine?
The InChIKey is PDPOMYNEGQIBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-10-5-11(2)7-13(6-10)15(4)9-12(3)8-14/h5-7,12H,8-9,14H2,1-4H3.
What are the key properties of N'-(3,5-dimethylphenyl)-N',2-dimethylpropane-1,3-diamine?
N'-(3,5-dimethylphenyl)-N',2-dimethylpropane-1,3-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethylphenyl)-N',2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 62001860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).