N-methyl-2-propan-2-yl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine

C17H30N2 — CID 115252814

IUPACN-methyl-2-propan-2-yl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine
SMILESCNCC(CNCc1c(C)cc(C)cc1C)C(C)C
InChIInChI=1S/C17H30N2/c1-12(2)16(9-18-6)10-19-11-17-14(4)7-13(3)8-15(17)5/h7-8,12,16,18-19H,9-11H2,1-6H3
InChIKeyMANRUESHYSAHFX-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.19
Rot. Bonds7

About N-methyl-2-propan-2-yl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine

N-methyl-2-propan-2-yl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine (PubChem CID 115252814) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-methyl-2-propan-2-yl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-2-propan-2-yl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine
PubChem CID115252814
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-methyl-2-propan-2-yl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine
SMILESCNCC(CNCc1c(C)cc(C)cc1C)C(C)C
InChIInChI=1S/C17H30N2/c1-12(2)16(9-18-6)10-19-11-17-14(4)7-13(3)8-15(17)5/h7-8,12,16,18-19H,9-11H2,1-6H3
InChIKeyMANRUESHYSAHFX-UHFFFAOYSA-N
XLogP3.19
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine
CID 115198487
2-methyl-3-methylsulfanyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 63982586
N-ethyl-3-methyl-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine
CID 63521679
2-[(3,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine
CID 62529340
2-N,2-N,4-trimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]pentane-1,2-diamine
CID 43094406
N-methyl-N'-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252837
3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine
CID 43085077
N-[(3-fluorophenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252833
2-[(2,4,6-trimethylphenyl)methylamino]ethanethiol
CID 115223927
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)methanamine
CID 115244718
1-iodo-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine
CID 107859391
2-N,2-dimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine
CID 115222230

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propan-2-yl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine?
The IUPAC name of N-methyl-2-propan-2-yl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine (CID 115252814) is N-methyl-2-propan-2-yl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N-methyl-2-propan-2-yl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine?
The canonical SMILES for N-methyl-2-propan-2-yl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine is CNCC(CNCc1c(C)cc(C)cc1C)C(C)C.
What is the InChIKey of N-methyl-2-propan-2-yl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine?
The InChIKey is MANRUESHYSAHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-12(2)16(9-18-6)10-19-11-17-14(4)7-13(3)8-15(17)5/h7-8,12,16,18-19H,9-11H2,1-6H3.
What are the key properties of N-methyl-2-propan-2-yl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine?
N-methyl-2-propan-2-yl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propan-2-yl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 115252814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).