N'-(4-tert-butyl-2,6-dimethylphenyl)butane-1,4-diamine

C16H28N2 — CID 115201007

IUPACN'-(4-tert-butyl-2,6-dimethylphenyl)butane-1,4-diamine
SMILESCc1cc(C(C)(C)C)cc(C)c1NCCCCN
InChIInChI=1S/C16H28N2/c1-12-10-14(16(3,4)5)11-13(2)15(12)18-9-7-6-8-17/h10-11,18H,6-9,17H2,1-5H3
InChIKeyOSUFJPIPZVJIAO-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.75
Rot. Bonds5

About N'-(4-tert-butyl-2,6-dimethylphenyl)butane-1,4-diamine

N'-(4-tert-butyl-2,6-dimethylphenyl)butane-1,4-diamine (PubChem CID 115201007) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N'-(4-tert-butyl-2,6-dimethylphenyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(4-tert-butyl-2,6-dimethylphenyl)butane-1,4-diamine
PubChem CID115201007
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN'-(4-tert-butyl-2,6-dimethylphenyl)butane-1,4-diamine
SMILESCc1cc(C(C)(C)C)cc(C)c1NCCCCN
InChIInChI=1S/C16H28N2/c1-12-10-14(16(3,4)5)11-13(2)15(12)18-9-7-6-8-17/h10-11,18H,6-9,17H2,1-5H3
InChIKeyOSUFJPIPZVJIAO-UHFFFAOYSA-N
XLogP3.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.75
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

6-Methyl-1,2,3,4-tetrahydroquinoline
CID 66678
1,2-Dihydro-2,2,4-trimethyl-6-phenylquinoline
CID 77098
Santoflex DD
CID 6965
Benzenamine, N-ethyl-2-methyl-
CID 7201
N-Ethyl-p-toluidine
CID 61164
2,4,6-Tri-tert-butylaniline
CID 70402
N,2,6-trimethylaniline
CID 136604
N,N,2,4,6-Pentamethylbenzenamine
CID 139365
2,4,6-Tri-tert-butyl-N-methylaniline
CID 1556924
2-(2,3-Dihydro-1H-indol-5-yl)-1-methyl-ethylamine
CID 13660281
Dimesitylamine
CID 11191273
N,N-dimethyl-4-{[(propan-2-yl)amino]methyl}aniline
CID 2774184

Frequently Asked Questions

What is the IUPAC name of N'-(4-tert-butyl-2,6-dimethylphenyl)butane-1,4-diamine?
The IUPAC name of N'-(4-tert-butyl-2,6-dimethylphenyl)butane-1,4-diamine (CID 115201007) is N'-(4-tert-butyl-2,6-dimethylphenyl)butane-1,4-diamine.
What is the SMILES notation for N'-(4-tert-butyl-2,6-dimethylphenyl)butane-1,4-diamine?
The canonical SMILES for N'-(4-tert-butyl-2,6-dimethylphenyl)butane-1,4-diamine is Cc1cc(C(C)(C)C)cc(C)c1NCCCCN.
What is the InChIKey of N'-(4-tert-butyl-2,6-dimethylphenyl)butane-1,4-diamine?
The InChIKey is OSUFJPIPZVJIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-12-10-14(16(3,4)5)11-13(2)15(12)18-9-7-6-8-17/h10-11,18H,6-9,17H2,1-5H3.
What are the key properties of N'-(4-tert-butyl-2,6-dimethylphenyl)butane-1,4-diamine?
N'-(4-tert-butyl-2,6-dimethylphenyl)butane-1,4-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-tert-butyl-2,6-dimethylphenyl)butane-1,4-diamine is sourced from PubChem (CID 115201007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).