N'-tert-butyl-N-[(2-ethylphenyl)methyl]ethane-1,2-diamine

C15H26N2 — CID 113405413

IUPACN'-tert-butyl-N-[(2-ethylphenyl)methyl]ethane-1,2-diamine
SMILESCCc1ccccc1CNCCNC(C)(C)C
InChIInChI=1S/C15H26N2/c1-5-13-8-6-7-9-14(13)12-16-10-11-17-15(2,3)4/h6-9,16-17H,5,10-12H2,1-4H3
InChIKeyCEFSDJMHXCJQEX-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.73
Rot. Bonds6

About N'-tert-butyl-N-[(2-ethylphenyl)methyl]ethane-1,2-diamine

N'-tert-butyl-N-[(2-ethylphenyl)methyl]ethane-1,2-diamine (PubChem CID 113405413) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N'-tert-butyl-N-[(2-ethylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-[(2-ethylphenyl)methyl]ethane-1,2-diamine
PubChem CID113405413
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN'-tert-butyl-N-[(2-ethylphenyl)methyl]ethane-1,2-diamine
SMILESCCc1ccccc1CNCCNC(C)(C)C
InChIInChI=1S/C15H26N2/c1-5-13-8-6-7-9-14(13)12-16-10-11-17-15(2,3)4/h6-9,16-17H,5,10-12H2,1-4H3
InChIKeyCEFSDJMHXCJQEX-UHFFFAOYSA-N
XLogP2.73
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-tert-butyl-N-[[2-(diethylaminomethyl)phenyl]methyl]ethane-1,2-diamine
CID 107444667
tert-butyl N-[2-[(2-ethylphenyl)methylamino]ethyl]carbamate
CID 115644655
2-tert-butylsulfonyl-N-[(2-ethylphenyl)methyl]ethanamine
CID 106723822
N-[(2-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 62392429
N-[2-[(2-ethylphenyl)methylamino]ethyl]methanesulfonamide
CID 62392443
N-[(2-ethylphenyl)methyl]-4,4,4-trifluorobutan-1-amine
CID 113326356
4-[(2-ethylphenyl)methylamino]butan-1-ol
CID 64680949
N-[(2-ethylphenyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 116615591
3-ethyl-N-[(2-ethylphenyl)methyl]pentan-3-amine
CID 65039204
2-[(2-ethylphenyl)methylamino]-2-methylpropan-1-ol
CID 62391565
3-cyclopentyl-N-[(2-ethylphenyl)methyl]propan-1-amine
CID 114136754
N-[(2-ethylphenyl)methyl]-5-methylhexan-1-amine
CID 113287301

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[(2-ethylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-[(2-ethylphenyl)methyl]ethane-1,2-diamine (CID 113405413) is N'-tert-butyl-N-[(2-ethylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-[(2-ethylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-[(2-ethylphenyl)methyl]ethane-1,2-diamine is CCc1ccccc1CNCCNC(C)(C)C.
What is the InChIKey of N'-tert-butyl-N-[(2-ethylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is CEFSDJMHXCJQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-13-8-6-7-9-14(13)12-16-10-11-17-15(2,3)4/h6-9,16-17H,5,10-12H2,1-4H3.
What are the key properties of N'-tert-butyl-N-[(2-ethylphenyl)methyl]ethane-1,2-diamine?
N'-tert-butyl-N-[(2-ethylphenyl)methyl]ethane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[(2-ethylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 113405413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).