N-[2-[1-(2-tert-butylphenoxy)cyclobutyl]ethyl]propan-1-amine

C19H31NO — CID 103273476

IUPACN-[2-[1-(2-tert-butylphenoxy)cyclobutyl]ethyl]propan-1-amine
SMILESCCCNCCC1(Oc2ccccc2C(C)(C)C)CCC1
InChIInChI=1S/C19H31NO/c1-5-14-20-15-13-19(11-8-12-19)21-17-10-7-6-9-16(17)18(2,3)4/h6-7,9-10,20H,5,8,11-15H2,1-4H3
InChIKeyLTISYVCLNCBSHK-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.68
Rot. Bonds7

About N-[2-[1-(2-tert-butylphenoxy)cyclobutyl]ethyl]propan-1-amine

N-[2-[1-(2-tert-butylphenoxy)cyclobutyl]ethyl]propan-1-amine (PubChem CID 103273476) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[2-[1-(2-tert-butylphenoxy)cyclobutyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[1-(2-tert-butylphenoxy)cyclobutyl]ethyl]propan-1-amine
PubChem CID103273476
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[2-[1-(2-tert-butylphenoxy)cyclobutyl]ethyl]propan-1-amine
SMILESCCCNCCC1(Oc2ccccc2C(C)(C)C)CCC1
InChIInChI=1S/C19H31NO/c1-5-14-20-15-13-19(11-8-12-19)21-17-10-7-6-9-16(17)18(2,3)4/h6-7,9-10,20H,5,8,11-15H2,1-4H3
InChIKeyLTISYVCLNCBSHK-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.68
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-tert-butylphenoxy)cyclobutyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[1-(2-tert-butylphenoxy)cyclobutyl]ethyl]propan-1-amine (CID 103273476) is N-[2-[1-(2-tert-butylphenoxy)cyclobutyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[1-(2-tert-butylphenoxy)cyclobutyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[1-(2-tert-butylphenoxy)cyclobutyl]ethyl]propan-1-amine is CCCNCCC1(Oc2ccccc2C(C)(C)C)CCC1.
What is the InChIKey of N-[2-[1-(2-tert-butylphenoxy)cyclobutyl]ethyl]propan-1-amine?
The InChIKey is LTISYVCLNCBSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-14-20-15-13-19(11-8-12-19)21-17-10-7-6-9-16(17)18(2,3)4/h6-7,9-10,20H,5,8,11-15H2,1-4H3.
What are the key properties of N-[2-[1-(2-tert-butylphenoxy)cyclobutyl]ethyl]propan-1-amine?
N-[2-[1-(2-tert-butylphenoxy)cyclobutyl]ethyl]propan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-tert-butylphenoxy)cyclobutyl]ethyl]propan-1-amine is sourced from PubChem (CID 103273476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).