N'-[2-(4-tert-butylphenyl)ethyl]methanediamine

C13H22N2 — CID 115225996

IUPACN'-[2-(4-tert-butylphenyl)ethyl]methanediamine
SMILESCC(C)(C)c1ccc(CCNCN)cc1
InChIInChI=1S/C13H22N2/c1-13(2,3)12-6-4-11(5-7-12)8-9-15-10-14/h4-7,15H,8-10,14H2,1-3H3
InChIKeyLUDBSPIVAONYEN-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.03
Rot. Bonds4

About N'-[2-(4-tert-butylphenyl)ethyl]methanediamine

N'-[2-(4-tert-butylphenyl)ethyl]methanediamine (PubChem CID 115225996) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N'-[2-(4-tert-butylphenyl)ethyl]methanediamine.

Molecular Properties

Compound NameN'-[2-(4-tert-butylphenyl)ethyl]methanediamine
PubChem CID115225996
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN'-[2-(4-tert-butylphenyl)ethyl]methanediamine
SMILESCC(C)(C)c1ccc(CCNCN)cc1
InChIInChI=1S/C13H22N2/c1-13(2,3)12-6-4-11(5-7-12)8-9-15-10-14/h4-7,15H,8-10,14H2,1-3H3
InChIKeyLUDBSPIVAONYEN-UHFFFAOYSA-N
XLogP2.03
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(4-tert-butylphenyl)ethyl]ethane-1,2-diamine
CID 115195374
N'-[2-(4-tert-butylphenyl)ethyl]-N-methylmethanediamine
CID 115227117
3-N-[2-(4-tert-butylphenyl)ethyl]propane-1,2,3-triamine
CID 115119935
N-[2-(4-tert-butylphenyl)ethyl]hydroxylamine
CID 142885264
N'-[2-(4-methoxyphenyl)ethyl]methanediamine
CID 115226003
2-(4-bromophenyl)-N-[(4-tert-butylphenyl)methyl]ethanamine
CID 68882931
4-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol
CID 61239050
tert-butyl 4-[2-(aminomethylamino)ethyl]benzoate
CID 57370866
2-amino-3-[2-(4-tert-butylphenyl)ethylamino]propanoic acid
CID 115240811
N'-[2-(3,4-dimethylphenyl)ethyl]methanediamine
CID 115225997
4-[2-(4-tert-butylphenyl)ethylamino]butanenitrile
CID 115231882
2-[3-[2-(4-tert-butylphenyl)ethylamino]prop-1-en-2-yl]aniline
CID 90788403

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-tert-butylphenyl)ethyl]methanediamine?
The IUPAC name of N'-[2-(4-tert-butylphenyl)ethyl]methanediamine (CID 115225996) is N'-[2-(4-tert-butylphenyl)ethyl]methanediamine.
What is the SMILES notation for N'-[2-(4-tert-butylphenyl)ethyl]methanediamine?
The canonical SMILES for N'-[2-(4-tert-butylphenyl)ethyl]methanediamine is CC(C)(C)c1ccc(CCNCN)cc1.
What is the InChIKey of N'-[2-(4-tert-butylphenyl)ethyl]methanediamine?
The InChIKey is LUDBSPIVAONYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-13(2,3)12-6-4-11(5-7-12)8-9-15-10-14/h4-7,15H,8-10,14H2,1-3H3.
What are the key properties of N'-[2-(4-tert-butylphenyl)ethyl]methanediamine?
N'-[2-(4-tert-butylphenyl)ethyl]methanediamine has a molecular weight of 206.33 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-tert-butylphenyl)ethyl]methanediamine is sourced from PubChem (CID 115225996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).