N-ethyl-N',2-dimethyl-N'-[(3-methylphenyl)methyl]propane-1,3-diamine

C15H26N2 — CID 62411635

IUPACN-ethyl-N',2-dimethyl-N'-[(3-methylphenyl)methyl]propane-1,3-diamine
SMILESCCNCC(C)CN(C)Cc1cccc(C)c1
InChIInChI=1S/C15H26N2/c1-5-16-10-14(3)11-17(4)12-15-8-6-7-13(2)9-15/h6-9,14,16H,5,10-12H2,1-4H3
InChIKeyJKHSAKRUMUCGGB-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.67
Rot. Bonds7

About N-ethyl-N',2-dimethyl-N'-[(3-methylphenyl)methyl]propane-1,3-diamine

N-ethyl-N',2-dimethyl-N'-[(3-methylphenyl)methyl]propane-1,3-diamine (PubChem CID 62411635) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-ethyl-N',2-dimethyl-N'-[(3-methylphenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N',2-dimethyl-N'-[(3-methylphenyl)methyl]propane-1,3-diamine
PubChem CID62411635
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-ethyl-N',2-dimethyl-N'-[(3-methylphenyl)methyl]propane-1,3-diamine
SMILESCCNCC(C)CN(C)Cc1cccc(C)c1
InChIInChI=1S/C15H26N2/c1-5-16-10-14(3)11-17(4)12-15-8-6-7-13(2)9-15/h6-9,14,16H,5,10-12H2,1-4H3
InChIKeyJKHSAKRUMUCGGB-UHFFFAOYSA-N
XLogP2.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(bromomethyl)-N,3-dimethyl-N-[(3-methylphenyl)methyl]butan-1-amine
CID 65011843
1-N,2-dimethyl-1-N-[(3-methylphenyl)methyl]heptane-1,6-diamine
CID 65296439
N-benzyl-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 62424928
2-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine
CID 43110036
3-[methyl-[(3-methylphenyl)methyl]amino]propane-1,2-diol
CID 82850825
1-methoxy-3-[methyl-[(3-methylphenyl)methyl]amino]propan-2-ol
CID 62015545
N-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine
CID 71201517
N'-methyl-N'-[(3-methylphenyl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 61411868
N-ethyl-2-[(3-methylphenyl)methyl]butan-1-amine
CID 62530963
N,2-dimethyl-N-[[3-(methylaminomethyl)phenyl]methyl]butan-1-amine
CID 55074982
1-[2-hydroxypropyl-[(3-methylphenyl)methyl]amino]propan-2-ol
CID 4662474
N-[(3-bromophenyl)methyl]-N,2-dimethylbutan-1-amine
CID 55136782

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N',2-dimethyl-N'-[(3-methylphenyl)methyl]propane-1,3-diamine?
The IUPAC name of N-ethyl-N',2-dimethyl-N'-[(3-methylphenyl)methyl]propane-1,3-diamine (CID 62411635) is N-ethyl-N',2-dimethyl-N'-[(3-methylphenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N-ethyl-N',2-dimethyl-N'-[(3-methylphenyl)methyl]propane-1,3-diamine?
The canonical SMILES for N-ethyl-N',2-dimethyl-N'-[(3-methylphenyl)methyl]propane-1,3-diamine is CCNCC(C)CN(C)Cc1cccc(C)c1.
What is the InChIKey of N-ethyl-N',2-dimethyl-N'-[(3-methylphenyl)methyl]propane-1,3-diamine?
The InChIKey is JKHSAKRUMUCGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-16-10-14(3)11-17(4)12-15-8-6-7-13(2)9-15/h6-9,14,16H,5,10-12H2,1-4H3.
What are the key properties of N-ethyl-N',2-dimethyl-N'-[(3-methylphenyl)methyl]propane-1,3-diamine?
N-ethyl-N',2-dimethyl-N'-[(3-methylphenyl)methyl]propane-1,3-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N',2-dimethyl-N'-[(3-methylphenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 62411635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).