N'-methyl-N'-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]ethane-1,2-diamine

C16H28N2 — CID 62635925

IUPACN'-methyl-N'-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]ethane-1,2-diamine
SMILESCc1cc(C)c(CNCCN(C)C(C)C)cc1C
InChIInChI=1S/C16H28N2/c1-12(2)18(6)8-7-17-11-16-10-14(4)13(3)9-15(16)5/h9-10,12,17H,7-8,11H2,1-6H3
InChIKeyVLGROCBOFOCUPC-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.04
Rot. Bonds6

About N'-methyl-N'-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]ethane-1,2-diamine

N'-methyl-N'-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]ethane-1,2-diamine (PubChem CID 62635925) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N'-methyl-N'-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]ethane-1,2-diamine
PubChem CID62635925
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN'-methyl-N'-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]ethane-1,2-diamine
SMILESCc1cc(C)c(CNCCN(C)C(C)C)cc1C
InChIInChI=1S/C16H28N2/c1-12(2)18(6)8-7-17-11-16-10-14(4)13(3)9-15(16)5/h9-10,12,17H,7-8,11H2,1-6H3
InChIKeyVLGROCBOFOCUPC-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenol
CID 63325666
N,N-dimethyl-2-[(2,4,5-trimethylphenyl)methylamino]ethanesulfonamide
CID 106335145
N'-methyl-N'-propan-2-yl-N-[(2,3,4-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 62635743
4-chloro-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenol
CID 62636256
2-methyl-6-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]phenol
CID 112554384
1-N-[(2,4,5-trimethylphenyl)methyl]propane-1,2-diamine
CID 115196543
N-[(2,3-dimethylphenyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103614549
N'-methyl-N'-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 62635384
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine
CID 117044002
N-[(2,4,5-trimethylphenyl)methyl]hexan-1-amine
CID 43220475
3-phenyl-N-[(2,4,5-trimethylphenyl)methyl]butan-1-amine
CID 63462579
[4-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenyl]methanol
CID 113365785

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]ethane-1,2-diamine (CID 62635925) is N'-methyl-N'-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]ethane-1,2-diamine is Cc1cc(C)c(CNCCN(C)C(C)C)cc1C.
What is the InChIKey of N'-methyl-N'-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is VLGROCBOFOCUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-12(2)18(6)8-7-17-11-16-10-14(4)13(3)9-15(16)5/h9-10,12,17H,7-8,11H2,1-6H3.
What are the key properties of N'-methyl-N'-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]ethane-1,2-diamine?
N'-methyl-N'-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]ethane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 62635925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).