1-butylsulfanylcyclohexan-1-amine

C10H21NS — CID 68737511

IUPAC1-butylsulfanylcyclohexan-1-amine
SMILESCCCCSC1(N)CCCCC1
InChIInChI=1S/C10H21NS/c1-2-3-9-12-10(11)7-5-4-6-8-10/h2-9,11H2,1H3
InChIKeyBIPHMHVACYTFAI-UHFFFAOYSA-N
MW187.35 g/mol
LogP3.14
Rot. Bonds4

About 1-butylsulfanylcyclohexan-1-amine

1-butylsulfanylcyclohexan-1-amine (PubChem CID 68737511) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 1-butylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound Name1-butylsulfanylcyclohexan-1-amine
PubChem CID68737511
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name1-butylsulfanylcyclohexan-1-amine
SMILESCCCCSC1(N)CCCCC1
InChIInChI=1S/C10H21NS/c1-2-3-9-12-10(11)7-5-4-6-8-10/h2-9,11H2,1H3
InChIKeyBIPHMHVACYTFAI-UHFFFAOYSA-N
XLogP3.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-butylsulfanylcyclohexan-1-amine?
The IUPAC name of 1-butylsulfanylcyclohexan-1-amine (CID 68737511) is 1-butylsulfanylcyclohexan-1-amine.
What is the SMILES notation for 1-butylsulfanylcyclohexan-1-amine?
The canonical SMILES for 1-butylsulfanylcyclohexan-1-amine is CCCCSC1(N)CCCCC1.
What is the InChIKey of 1-butylsulfanylcyclohexan-1-amine?
The InChIKey is BIPHMHVACYTFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-2-3-9-12-10(11)7-5-4-6-8-10/h2-9,11H2,1H3.
What are the key properties of 1-butylsulfanylcyclohexan-1-amine?
1-butylsulfanylcyclohexan-1-amine has a molecular weight of 187.35 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 68737511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).