1-(cyclopropylmethyl)-N-ethyl-3-(propylsulfanylmethyl)cyclobutan-1-amine

C14H27NS — CID 69128321

IUPAC1-(cyclopropylmethyl)-N-ethyl-3-(propylsulfanylmethyl)cyclobutan-1-amine
SMILESCCCSCC1CC(CC2CC2)(NCC)C1
InChIInChI=1S/C14H27NS/c1-3-7-16-11-13-9-14(10-13,15-4-2)8-12-5-6-12/h12-13,15H,3-11H2,1-2H3
InChIKeyQSABGPDPZIZLJV-UHFFFAOYSA-N
MW241.44 g/mol
LogP3.69
Rot. Bonds8

About 1-(cyclopropylmethyl)-N-ethyl-3-(propylsulfanylmethyl)cyclobutan-1-amine

1-(cyclopropylmethyl)-N-ethyl-3-(propylsulfanylmethyl)cyclobutan-1-amine (PubChem CID 69128321) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-ethyl-3-(propylsulfanylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-ethyl-3-(propylsulfanylmethyl)cyclobutan-1-amine
PubChem CID69128321
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC Name1-(cyclopropylmethyl)-N-ethyl-3-(propylsulfanylmethyl)cyclobutan-1-amine
SMILESCCCSCC1CC(CC2CC2)(NCC)C1
InChIInChI=1S/C14H27NS/c1-3-7-16-11-13-9-14(10-13,15-4-2)8-12-5-6-12/h12-13,15H,3-11H2,1-2H3
InChIKeyQSABGPDPZIZLJV-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.44
LogP ≤ 53.69
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 1-(cyclopropylmethyl)-N-ethyl-3-(propylsulfanylmethyl)cyclobutan-1-amine?
The IUPAC name of 1-(cyclopropylmethyl)-N-ethyl-3-(propylsulfanylmethyl)cyclobutan-1-amine (CID 69128321) is 1-(cyclopropylmethyl)-N-ethyl-3-(propylsulfanylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-ethyl-3-(propylsulfanylmethyl)cyclobutan-1-amine?
The canonical SMILES for 1-(cyclopropylmethyl)-N-ethyl-3-(propylsulfanylmethyl)cyclobutan-1-amine is CCCSCC1CC(CC2CC2)(NCC)C1.
What is the InChIKey of 1-(cyclopropylmethyl)-N-ethyl-3-(propylsulfanylmethyl)cyclobutan-1-amine?
The InChIKey is QSABGPDPZIZLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NS/c1-3-7-16-11-13-9-14(10-13,15-4-2)8-12-5-6-12/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-N-ethyl-3-(propylsulfanylmethyl)cyclobutan-1-amine?
1-(cyclopropylmethyl)-N-ethyl-3-(propylsulfanylmethyl)cyclobutan-1-amine has a molecular weight of 241.44 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-ethyl-3-(propylsulfanylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 69128321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).