N-(2-pentylsulfanylethyl)cyclopentanamine

C12H25NS — CID 107756998

IUPACN-(2-pentylsulfanylethyl)cyclopentanamine
SMILESCCCCCSCCNC1CCCC1
InChIInChI=1S/C12H25NS/c1-2-3-6-10-14-11-9-13-12-7-4-5-8-12/h12-13H,2-11H2,1H3
InChIKeyNLCBVHIRIZIBSQ-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.44
Rot. Bonds8

About N-(2-pentylsulfanylethyl)cyclopentanamine

N-(2-pentylsulfanylethyl)cyclopentanamine (PubChem CID 107756998) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is N-(2-pentylsulfanylethyl)cyclopentanamine.

Molecular Properties

Compound NameN-(2-pentylsulfanylethyl)cyclopentanamine
PubChem CID107756998
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC NameN-(2-pentylsulfanylethyl)cyclopentanamine
SMILESCCCCCSCCNC1CCCC1
InChIInChI=1S/C12H25NS/c1-2-3-6-10-14-11-9-13-12-7-4-5-8-12/h12-13H,2-11H2,1H3
InChIKeyNLCBVHIRIZIBSQ-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.44
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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Related Compounds

N-(2-butylsulfanylethyl)-4-methylcyclohexan-1-amine
CID 62578234
N-dodecylcyclohexanamine
CID 3679395
N-(3-ethylsulfanylpropyl)cyclohexanamine
CID 62577534
N-butylcyclohexanamine;molecular hydrogen
CID 143047743
N'-cyclohexyl-N-decylethane-1,2-diamine
CID 163569737
N-(2-propan-2-ylsulfanylethyl)cycloheptanamine
CID 62579320
N-(3-octoxypropyl)cyclohexanamine
CID 63506430
N-(3-butylsulfonylpropyl)cyclopentanamine
CID 106512483
azane;N-propylcyclohexanamine
CID 19368218
N-propylcyclohexanamine;hydrochloride
CID 17370003
N',N'-dibutyl-N-cyclopentylpropane-1,3-diamine
CID 55087820
2-heptylsulfanylethylcyclohexane
CID 557257

Frequently Asked Questions

What is the IUPAC name of N-(2-pentylsulfanylethyl)cyclopentanamine?
The IUPAC name of N-(2-pentylsulfanylethyl)cyclopentanamine (CID 107756998) is N-(2-pentylsulfanylethyl)cyclopentanamine.
What is the SMILES notation for N-(2-pentylsulfanylethyl)cyclopentanamine?
The canonical SMILES for N-(2-pentylsulfanylethyl)cyclopentanamine is CCCCCSCCNC1CCCC1.
What is the InChIKey of N-(2-pentylsulfanylethyl)cyclopentanamine?
The InChIKey is NLCBVHIRIZIBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-2-3-6-10-14-11-9-13-12-7-4-5-8-12/h12-13H,2-11H2,1H3.
What are the key properties of N-(2-pentylsulfanylethyl)cyclopentanamine?
N-(2-pentylsulfanylethyl)cyclopentanamine has a molecular weight of 215.41 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pentylsulfanylethyl)cyclopentanamine is sourced from PubChem (CID 107756998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).