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

C14H24N2 — CID 115227117

IUPACN'-[2-(4-tert-butylphenyl)ethyl]-N-methylmethanediamine
SMILESCNCNCCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H24N2/c1-14(2,3)13-7-5-12(6-8-13)9-10-16-11-15-4/h5-8,15-16H,9-11H2,1-4H3
InChIKeyROYVKKNALXDVOI-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.29
Rot. Bonds5

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

N'-[2-(4-tert-butylphenyl)ethyl]-N-methylmethanediamine (PubChem CID 115227117) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N'-[2-(4-tert-butylphenyl)ethyl]-N-methylmethanediamine.

Molecular Properties

Compound NameN'-[2-(4-tert-butylphenyl)ethyl]-N-methylmethanediamine
PubChem CID115227117
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN'-[2-(4-tert-butylphenyl)ethyl]-N-methylmethanediamine
SMILESCNCNCCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H24N2/c1-14(2,3)13-7-5-12(6-8-13)9-10-16-11-15-4/h5-8,15-16H,9-11H2,1-4H3
InChIKeyROYVKKNALXDVOI-UHFFFAOYSA-N
XLogP2.29
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.29
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]methanediamine
CID 115225996
N'-[2-(4-tert-butylphenyl)ethyl]ethane-1,2-diamine
CID 115195374
N-[2-(4-tert-butylphenyl)ethyl]hydroxylamine
CID 142885264
4-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol
CID 61239050
2-(4-bromophenyl)-N-[(4-tert-butylphenyl)methyl]ethanamine
CID 68882931
N'-[2-(5-tert-butyl-2-methylphenyl)ethyl]-N-methylmethanediamine
CID 115227143
N-methyl-N'-(2-pyridin-4-ylethyl)methanediamine
CID 115227249
2-[4-(2-fluoropropan-2-yl)phenyl]-N-methylethanamine
CID 84666441
4-[2-(4-tert-butylphenyl)ethylamino]butanenitrile
CID 115231882
3-N-[2-(4-tert-butylphenyl)ethyl]propane-1,2,3-triamine
CID 115119935
N-methyl-N'-[2-methyl-2-(4-propylphenyl)propyl]methanediamine
CID 115227465
4-[2-(4-tert-butylphenyl)ethylamino]-2,2-dimethylbutanoic acid
CID 122127415

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-tert-butylphenyl)ethyl]-N-methylmethanediamine?
The IUPAC name of N'-[2-(4-tert-butylphenyl)ethyl]-N-methylmethanediamine (CID 115227117) is N'-[2-(4-tert-butylphenyl)ethyl]-N-methylmethanediamine.
What is the SMILES notation for N'-[2-(4-tert-butylphenyl)ethyl]-N-methylmethanediamine?
The canonical SMILES for N'-[2-(4-tert-butylphenyl)ethyl]-N-methylmethanediamine is CNCNCCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N'-[2-(4-tert-butylphenyl)ethyl]-N-methylmethanediamine?
The InChIKey is ROYVKKNALXDVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-14(2,3)13-7-5-12(6-8-13)9-10-16-11-15-4/h5-8,15-16H,9-11H2,1-4H3.
What are the key properties of N'-[2-(4-tert-butylphenyl)ethyl]-N-methylmethanediamine?
N'-[2-(4-tert-butylphenyl)ethyl]-N-methylmethanediamine has a molecular weight of 220.36 g/mol, XLogP of 2.29, 5 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]-N-methylmethanediamine is sourced from PubChem (CID 115227117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).