N'-[(5-tert-butyl-2-methylphenyl)methyl]-2-ethylpropane-1,3-diamine

C17H30N2 — CID 115251439

IUPACN'-[(5-tert-butyl-2-methylphenyl)methyl]-2-ethylpropane-1,3-diamine
SMILESCCC(CN)CNCc1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C17H30N2/c1-6-14(10-18)11-19-12-15-9-16(17(3,4)5)8-7-13(15)2/h7-9,14,19H,6,10-12,18H2,1-5H3
InChIKeyNBTNRBMZOUZSIJ-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.37
Rot. Bonds6

About N'-[(5-tert-butyl-2-methylphenyl)methyl]-2-ethylpropane-1,3-diamine

N'-[(5-tert-butyl-2-methylphenyl)methyl]-2-ethylpropane-1,3-diamine (PubChem CID 115251439) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N'-[(5-tert-butyl-2-methylphenyl)methyl]-2-ethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(5-tert-butyl-2-methylphenyl)methyl]-2-ethylpropane-1,3-diamine
PubChem CID115251439
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN'-[(5-tert-butyl-2-methylphenyl)methyl]-2-ethylpropane-1,3-diamine
SMILESCCC(CN)CNCc1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C17H30N2/c1-6-14(10-18)11-19-12-15-9-16(17(3,4)5)8-7-13(15)2/h7-9,14,19H,6,10-12,18H2,1-5H3
InChIKeyNBTNRBMZOUZSIJ-UHFFFAOYSA-N
XLogP3.37
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-[(5-tert-butyl-2-methylphenyl)methylamino]propanoic acid
CID 115240661
1-(5-tert-butyl-2-methylphenyl)-N-methylmethanamine
CID 82125631
N-[(5-tert-butyl-2-methylphenyl)methyl]-2-methylpropan-2-amine
CID 82129150
1-amino-3-(5-tert-butyl-2-methylphenyl)propan-2-ol
CID 116859137
2-N-[(5-tert-butyl-2-methylphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 117039981
2-[(5-tert-butyl-2-methylphenyl)methylamino]acetic acid
CID 82496644
N-[(5-bromo-2-methylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine
CID 115255028
1-N-[2-(5-tert-butyl-2-methylphenyl)ethyl]propane-1,2-diamine
CID 115196764
2-ethyl-N'-[(4-methoxy-2,3-dimethylphenyl)methyl]propane-1,3-diamine
CID 115251473
2-[[(4-tert-butyl-2-methylphenyl)methylamino]methyl]butanenitrile
CID 115253828
N'-[(2,5-dimethylphenyl)methyl]-2-methylpropane-1,3-diamine
CID 115198457
N-[(4-tert-butyl-2-methylphenyl)methyl]ethanamine
CID 82470206

Frequently Asked Questions

What is the IUPAC name of N'-[(5-tert-butyl-2-methylphenyl)methyl]-2-ethylpropane-1,3-diamine?
The IUPAC name of N'-[(5-tert-butyl-2-methylphenyl)methyl]-2-ethylpropane-1,3-diamine (CID 115251439) is N'-[(5-tert-butyl-2-methylphenyl)methyl]-2-ethylpropane-1,3-diamine.
What is the SMILES notation for N'-[(5-tert-butyl-2-methylphenyl)methyl]-2-ethylpropane-1,3-diamine?
The canonical SMILES for N'-[(5-tert-butyl-2-methylphenyl)methyl]-2-ethylpropane-1,3-diamine is CCC(CN)CNCc1cc(C(C)(C)C)ccc1C.
What is the InChIKey of N'-[(5-tert-butyl-2-methylphenyl)methyl]-2-ethylpropane-1,3-diamine?
The InChIKey is NBTNRBMZOUZSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-14(10-18)11-19-12-15-9-16(17(3,4)5)8-7-13(15)2/h7-9,14,19H,6,10-12,18H2,1-5H3.
What are the key properties of N'-[(5-tert-butyl-2-methylphenyl)methyl]-2-ethylpropane-1,3-diamine?
N'-[(5-tert-butyl-2-methylphenyl)methyl]-2-ethylpropane-1,3-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-tert-butyl-2-methylphenyl)methyl]-2-ethylpropane-1,3-diamine is sourced from PubChem (CID 115251439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).