N-tert-butyl-5-(4-tert-butylphenoxy)pentan-1-amine

C19H33NO — CID 63497163

IUPACN-tert-butyl-5-(4-tert-butylphenoxy)pentan-1-amine
SMILESCC(C)(C)NCCCCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H33NO/c1-18(2,3)16-10-12-17(13-11-16)21-15-9-7-8-14-20-19(4,5)6/h10-13,20H,7-9,14-15H2,1-6H3
InChIKeyCWZUCZNMMCRPIQ-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.92
Rot. Bonds7

About N-tert-butyl-5-(4-tert-butylphenoxy)pentan-1-amine

N-tert-butyl-5-(4-tert-butylphenoxy)pentan-1-amine (PubChem CID 63497163) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is N-tert-butyl-5-(4-tert-butylphenoxy)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-5-(4-tert-butylphenoxy)pentan-1-amine
PubChem CID63497163
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC NameN-tert-butyl-5-(4-tert-butylphenoxy)pentan-1-amine
SMILESCC(C)(C)NCCCCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H33NO/c1-18(2,3)16-10-12-17(13-11-16)21-15-9-7-8-14-20-19(4,5)6/h10-13,20H,7-9,14-15H2,1-6H3
InChIKeyCWZUCZNMMCRPIQ-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

4-(4-tert-butylphenoxy)-N-methylbutan-1-amine
CID 62454221
4-(4-tert-butylphenoxy)-N-(2-methoxyethyl)butan-1-amine
CID 62572894
1-(5-bromopentoxy)-4-tert-butylbenzene
CID 5186697
N-[4-(4-tert-butylphenoxy)butyl]cyclopropanamine
CID 62454395
N-tert-butyl-4-[(6-methyl-3-pyridinyl)oxy]butan-1-amine
CID 55073143
N'-tert-butyl-N-(4-hexoxyphenyl)ethane-1,2-diamine
CID 54806949
N-tert-butyl-5-(2,3-dihydro-1H-inden-5-yloxy)pentan-1-amine
CID 62458571
1-[bis(4-tert-butylphenyl)-[4-(6-iodohexoxy)phenyl]methyl]-4-tert-butylbenzene
CID 132534710
4-[[4-[10-[4-[bis(4-tert-butylphenyl)-(4-hydroxyphenyl)methyl]phenoxy]decoxy]phenyl]-bis(4-tert-butylphenyl)methyl]phenol
CID 15189872
N-tert-butyl-4-(3,5-dimethylphenoxy)butan-1-amine
CID 2250755
N-tert-butyl-5-(3-methyl-4-propan-2-ylphenoxy)pentan-1-amine
CID 63498749
N-tert-butyl-4-(3,5-dichlorophenoxy)butan-1-amine
CID 62485378

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(4-tert-butylphenoxy)pentan-1-amine?
The IUPAC name of N-tert-butyl-5-(4-tert-butylphenoxy)pentan-1-amine (CID 63497163) is N-tert-butyl-5-(4-tert-butylphenoxy)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-5-(4-tert-butylphenoxy)pentan-1-amine?
The canonical SMILES for N-tert-butyl-5-(4-tert-butylphenoxy)pentan-1-amine is CC(C)(C)NCCCCCOc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-5-(4-tert-butylphenoxy)pentan-1-amine?
The InChIKey is CWZUCZNMMCRPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-18(2,3)16-10-12-17(13-11-16)21-15-9-7-8-14-20-19(4,5)6/h10-13,20H,7-9,14-15H2,1-6H3.
What are the key properties of N-tert-butyl-5-(4-tert-butylphenoxy)pentan-1-amine?
N-tert-butyl-5-(4-tert-butylphenoxy)pentan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(4-tert-butylphenoxy)pentan-1-amine is sourced from PubChem (CID 63497163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).