N-[(3-tert-butyl-1-thiophen-2-ylcyclobutyl)methyl]propan-1-amine

C16H27NS — CID 65014479

IUPACN-[(3-tert-butyl-1-thiophen-2-ylcyclobutyl)methyl]propan-1-amine
SMILESCCCNCC1(c2cccs2)CC(C(C)(C)C)C1
InChIInChI=1S/C16H27NS/c1-5-8-17-12-16(14-7-6-9-18-14)10-13(11-16)15(2,3)4/h6-7,9,13,17H,5,8,10-12H2,1-4H3
InChIKeyCPHAORZVESONAL-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.44
Rot. Bonds5

About N-[(3-tert-butyl-1-thiophen-2-ylcyclobutyl)methyl]propan-1-amine

N-[(3-tert-butyl-1-thiophen-2-ylcyclobutyl)methyl]propan-1-amine (PubChem CID 65014479) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is N-[(3-tert-butyl-1-thiophen-2-ylcyclobutyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-tert-butyl-1-thiophen-2-ylcyclobutyl)methyl]propan-1-amine
PubChem CID65014479
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC NameN-[(3-tert-butyl-1-thiophen-2-ylcyclobutyl)methyl]propan-1-amine
SMILESCCCNCC1(c2cccs2)CC(C(C)(C)C)C1
InChIInChI=1S/C16H27NS/c1-5-8-17-12-16(14-7-6-9-18-14)10-13(11-16)15(2,3)4/h6-7,9,13,17H,5,8,10-12H2,1-4H3
InChIKeyCPHAORZVESONAL-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.44
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-[(3-tert-butyl-1-thiophen-2-ylcyclobutyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-tert-butyl-1-thiophen-2-ylcyclobutyl)methyl]propan-1-amine (CID 65014479) is N-[(3-tert-butyl-1-thiophen-2-ylcyclobutyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-tert-butyl-1-thiophen-2-ylcyclobutyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-tert-butyl-1-thiophen-2-ylcyclobutyl)methyl]propan-1-amine is CCCNCC1(c2cccs2)CC(C(C)(C)C)C1.
What is the InChIKey of N-[(3-tert-butyl-1-thiophen-2-ylcyclobutyl)methyl]propan-1-amine?
The InChIKey is CPHAORZVESONAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-5-8-17-12-16(14-7-6-9-18-14)10-13(11-16)15(2,3)4/h6-7,9,13,17H,5,8,10-12H2,1-4H3.
What are the key properties of N-[(3-tert-butyl-1-thiophen-2-ylcyclobutyl)methyl]propan-1-amine?
N-[(3-tert-butyl-1-thiophen-2-ylcyclobutyl)methyl]propan-1-amine has a molecular weight of 265.47 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1-thiophen-2-ylcyclobutyl)methyl]propan-1-amine is sourced from PubChem (CID 65014479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).