N-tert-butyl-4-(3-tert-butylphenoxy)pentan-1-amine

C19H33NO — CID 63496114

IUPACN-tert-butyl-4-(3-tert-butylphenoxy)pentan-1-amine
SMILESCC(CCCNC(C)(C)C)Oc1cccc(C(C)(C)C)c1
InChIInChI=1S/C19H33NO/c1-15(10-9-13-20-19(5,6)7)21-17-12-8-11-16(14-17)18(2,3)4/h8,11-12,14-15,20H,9-10,13H2,1-7H3
InChIKeyYONSGTKHUFRIEB-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.92
Rot. Bonds6

About N-tert-butyl-4-(3-tert-butylphenoxy)pentan-1-amine

N-tert-butyl-4-(3-tert-butylphenoxy)pentan-1-amine (PubChem CID 63496114) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is N-tert-butyl-4-(3-tert-butylphenoxy)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(3-tert-butylphenoxy)pentan-1-amine
PubChem CID63496114
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC NameN-tert-butyl-4-(3-tert-butylphenoxy)pentan-1-amine
SMILESCC(CCCNC(C)(C)C)Oc1cccc(C(C)(C)C)c1
InChIInChI=1S/C19H33NO/c1-15(10-9-13-20-19(5,6)7)21-17-12-8-11-16(14-17)18(2,3)4/h8,11-12,14-15,20H,9-10,13H2,1-7H3
InChIKeyYONSGTKHUFRIEB-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.92
H-Bond Donors ≤ 51
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-3-(3-tert-butylphenoxy)butan-1-amine
CID 126671936
N-tert-butyl-4-(3-propan-2-ylphenoxy)pentan-1-amine
CID 62453840
4-(3-tert-butylphenoxy)-N-propylpentan-1-amine
CID 63496113
3-(3-tert-butylphenoxy)butan-1-amine
CID 70646087
N-tert-butyl-4-(3-fluoro-4-methylphenoxy)pentan-1-amine
CID 107170796
N-tert-butyl-3-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine
CID 81021954
4-(3-tert-butylphenoxy)-N-ethylpentan-2-amine
CID 64706884
N-tert-butyl-4-(2-methylphenoxy)pentan-1-amine
CID 55076647
N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2,2-dimethylpropan-1-amine
CID 139475190
2-(3-tert-butylphenoxy)-N-(3-ethoxypropyl)propan-1-amine
CID 62597760
4-(3-methylphenoxy)-N-propan-2-ylpentan-1-amine
CID 62452888
1-pentan-2-yloxy-3-(trifluoromethyl)benzene
CID 54046925

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(3-tert-butylphenoxy)pentan-1-amine?
The IUPAC name of N-tert-butyl-4-(3-tert-butylphenoxy)pentan-1-amine (CID 63496114) is N-tert-butyl-4-(3-tert-butylphenoxy)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(3-tert-butylphenoxy)pentan-1-amine?
The canonical SMILES for N-tert-butyl-4-(3-tert-butylphenoxy)pentan-1-amine is CC(CCCNC(C)(C)C)Oc1cccc(C(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-4-(3-tert-butylphenoxy)pentan-1-amine?
The InChIKey is YONSGTKHUFRIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-15(10-9-13-20-19(5,6)7)21-17-12-8-11-16(14-17)18(2,3)4/h8,11-12,14-15,20H,9-10,13H2,1-7H3.
What are the key properties of N-tert-butyl-4-(3-tert-butylphenoxy)pentan-1-amine?
N-tert-butyl-4-(3-tert-butylphenoxy)pentan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(3-tert-butylphenoxy)pentan-1-amine is sourced from PubChem (CID 63496114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).