N-[[1-(4-tert-butylphenyl)-2-methylcyclobutyl]methyl]propan-1-amine

C19H31N — CID 66424938

IUPACN-[[1-(4-tert-butylphenyl)-2-methylcyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1(c2ccc(C(C)(C)C)cc2)CCC1C
InChIInChI=1S/C19H31N/c1-6-13-20-14-19(12-11-15(19)2)17-9-7-16(8-10-17)18(3,4)5/h7-10,15,20H,6,11-14H2,1-5H3
InChIKeyVUPADJLCVQUANX-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.65
Rot. Bonds5

About N-[[1-(4-tert-butylphenyl)-2-methylcyclobutyl]methyl]propan-1-amine

N-[[1-(4-tert-butylphenyl)-2-methylcyclobutyl]methyl]propan-1-amine (PubChem CID 66424938) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-[[1-(4-tert-butylphenyl)-2-methylcyclobutyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(4-tert-butylphenyl)-2-methylcyclobutyl]methyl]propan-1-amine
PubChem CID66424938
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-[[1-(4-tert-butylphenyl)-2-methylcyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1(c2ccc(C(C)(C)C)cc2)CCC1C
InChIInChI=1S/C19H31N/c1-6-13-20-14-19(12-11-15(19)2)17-9-7-16(8-10-17)18(3,4)5/h7-10,15,20H,6,11-14H2,1-5H3
InChIKeyVUPADJLCVQUANX-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.65
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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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-tert-butylphenyl)-2-methylcyclobutyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(4-tert-butylphenyl)-2-methylcyclobutyl]methyl]propan-1-amine (CID 66424938) is N-[[1-(4-tert-butylphenyl)-2-methylcyclobutyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(4-tert-butylphenyl)-2-methylcyclobutyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(4-tert-butylphenyl)-2-methylcyclobutyl]methyl]propan-1-amine is CCCNCC1(c2ccc(C(C)(C)C)cc2)CCC1C.
What is the InChIKey of N-[[1-(4-tert-butylphenyl)-2-methylcyclobutyl]methyl]propan-1-amine?
The InChIKey is VUPADJLCVQUANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-6-13-20-14-19(12-11-15(19)2)17-9-7-16(8-10-17)18(3,4)5/h7-10,15,20H,6,11-14H2,1-5H3.
What are the key properties of N-[[1-(4-tert-butylphenyl)-2-methylcyclobutyl]methyl]propan-1-amine?
N-[[1-(4-tert-butylphenyl)-2-methylcyclobutyl]methyl]propan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-tert-butylphenyl)-2-methylcyclobutyl]methyl]propan-1-amine is sourced from PubChem (CID 66424938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).