N-butan-2-yl-N-cyclohexylthiophen-2-amine;hydrochloride

C14H24ClNS — CID 174622444

IUPACN-butan-2-yl-N-cyclohexylthiophen-2-amine;hydrochloride
SMILESCCC(C)N(c1cccs1)C1CCCCC1.Cl
InChIInChI=1S/C14H23NS.ClH/c1-3-12(2)15(14-10-7-11-16-14)13-8-5-4-6-9-13;/h7,10-13H,3-6,8-9H2,1-2H3;1H
InChIKeyRVYXWKXAAZGSAJ-UHFFFAOYSA-N
MW273.87 g/mol
LogP5.11
Rot. Bonds4

About N-butan-2-yl-N-cyclohexylthiophen-2-amine;hydrochloride

N-butan-2-yl-N-cyclohexylthiophen-2-amine;hydrochloride (PubChem CID 174622444) has the molecular formula C14H24ClNS and a molecular weight of 273.87 g/mol. Its IUPAC name is N-butan-2-yl-N-cyclohexylthiophen-2-amine;hydrochloride.

Molecular Properties

Compound NameN-butan-2-yl-N-cyclohexylthiophen-2-amine;hydrochloride
PubChem CID174622444
Molecular FormulaC14H24ClNS
Molecular Weight273.87 g/mol
Exact Mass273.13
IUPAC NameN-butan-2-yl-N-cyclohexylthiophen-2-amine;hydrochloride
SMILESCCC(C)N(c1cccs1)C1CCCCC1.Cl
InChIInChI=1S/C14H23NS.ClH/c1-3-12(2)15(14-10-7-11-16-14)13-8-5-4-6-9-13;/h7,10-13H,3-6,8-9H2,1-2H3;1H
InChIKeyRVYXWKXAAZGSAJ-UHFFFAOYSA-N
XLogP5.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.87
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-cyclohexylthiophen-2-amine;hydrochloride?
The IUPAC name of N-butan-2-yl-N-cyclohexylthiophen-2-amine;hydrochloride (CID 174622444) is N-butan-2-yl-N-cyclohexylthiophen-2-amine;hydrochloride.
What is the SMILES notation for N-butan-2-yl-N-cyclohexylthiophen-2-amine;hydrochloride?
The canonical SMILES for N-butan-2-yl-N-cyclohexylthiophen-2-amine;hydrochloride is CCC(C)N(c1cccs1)C1CCCCC1.Cl.
What is the InChIKey of N-butan-2-yl-N-cyclohexylthiophen-2-amine;hydrochloride?
The InChIKey is RVYXWKXAAZGSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS.ClH/c1-3-12(2)15(14-10-7-11-16-14)13-8-5-4-6-9-13;/h7,10-13H,3-6,8-9H2,1-2H3;1H.
What are the key properties of N-butan-2-yl-N-cyclohexylthiophen-2-amine;hydrochloride?
N-butan-2-yl-N-cyclohexylthiophen-2-amine;hydrochloride has a molecular weight of 273.87 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-cyclohexylthiophen-2-amine;hydrochloride is sourced from PubChem (CID 174622444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).