N-tert-butyl-6-(2,4-dimethylphenyl)hexan-1-amine

C18H31N — CID 65308446

IUPACN-tert-butyl-6-(2,4-dimethylphenyl)hexan-1-amine
SMILESCc1ccc(CCCCCCNC(C)(C)C)c(C)c1
InChIInChI=1S/C18H31N/c1-15-11-12-17(16(2)14-15)10-8-6-7-9-13-19-18(3,4)5/h11-12,14,19H,6-10,13H2,1-5H3
InChIKeyJUXJDOWXPDNSIV-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.79
Rot. Bonds7

About N-tert-butyl-6-(2,4-dimethylphenyl)hexan-1-amine

N-tert-butyl-6-(2,4-dimethylphenyl)hexan-1-amine (PubChem CID 65308446) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N-tert-butyl-6-(2,4-dimethylphenyl)hexan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-6-(2,4-dimethylphenyl)hexan-1-amine
PubChem CID65308446
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN-tert-butyl-6-(2,4-dimethylphenyl)hexan-1-amine
SMILESCc1ccc(CCCCCCNC(C)(C)C)c(C)c1
InChIInChI=1S/C18H31N/c1-15-11-12-17(16(2)14-15)10-8-6-7-9-13-19-18(3,4)5/h11-12,14,19H,6-10,13H2,1-5H3
InChIKeyJUXJDOWXPDNSIV-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-2-methylpropan-2-amine
CID 16774947
12-(2,4-dimethylphenyl)dodecan-1-amine
CID 70565754
N-tert-butyl-5-(2,4-dichlorophenyl)pentan-1-amine
CID 65305971
3-(2,4-dimethylphenyl)-N-iodopropan-1-amine;ethane
CID 145450537
2-(2,4-dimethylphenyl)-N-ethylethanamine
CID 62801673
1-hept-6-enyl-2,4-dimethylbenzene
CID 91041017
2-N-[2-(2,4-dimethylphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115132904
N-tert-butyl-4-(2-fluoro-4-methoxyphenyl)butan-1-amine
CID 65303427
N-tert-butyl-5-(4-methoxy-3-methylphenyl)pentan-1-amine
CID 65305391
N-tert-butyl-5-(2-methoxy-4-methylphenoxy)pentan-1-amine
CID 62450478
1-N-[2-(2,4-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222418
N-tert-butyl-6-(4-ethylphenyl)hexan-1-amine
CID 65308895

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(2,4-dimethylphenyl)hexan-1-amine?
The IUPAC name of N-tert-butyl-6-(2,4-dimethylphenyl)hexan-1-amine (CID 65308446) is N-tert-butyl-6-(2,4-dimethylphenyl)hexan-1-amine.
What is the SMILES notation for N-tert-butyl-6-(2,4-dimethylphenyl)hexan-1-amine?
The canonical SMILES for N-tert-butyl-6-(2,4-dimethylphenyl)hexan-1-amine is Cc1ccc(CCCCCCNC(C)(C)C)c(C)c1.
What is the InChIKey of N-tert-butyl-6-(2,4-dimethylphenyl)hexan-1-amine?
The InChIKey is JUXJDOWXPDNSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-15-11-12-17(16(2)14-15)10-8-6-7-9-13-19-18(3,4)5/h11-12,14,19H,6-10,13H2,1-5H3.
What are the key properties of N-tert-butyl-6-(2,4-dimethylphenyl)hexan-1-amine?
N-tert-butyl-6-(2,4-dimethylphenyl)hexan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(2,4-dimethylphenyl)hexan-1-amine is sourced from PubChem (CID 65308446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).