N-(cyclopentylmethyl)-2-(cyclopropylmethylsulfanyl)ethanamine

C12H23NS — CID 115908421

IUPACN-(cyclopentylmethyl)-2-(cyclopropylmethylsulfanyl)ethanamine
SMILESC1CCC(CNCCSCC2CC2)C1
InChIInChI=1S/C12H23NS/c1-2-4-11(3-1)9-13-7-8-14-10-12-5-6-12/h11-13H,1-10H2
InChIKeyYRNMKSCIGBYQPO-UHFFFAOYSA-N
MW213.39 g/mol
LogP2.91
Rot. Bonds7

About N-(cyclopentylmethyl)-2-(cyclopropylmethylsulfanyl)ethanamine

N-(cyclopentylmethyl)-2-(cyclopropylmethylsulfanyl)ethanamine (PubChem CID 115908421) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-(cyclopropylmethylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-(cyclopropylmethylsulfanyl)ethanamine
PubChem CID115908421
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC NameN-(cyclopentylmethyl)-2-(cyclopropylmethylsulfanyl)ethanamine
SMILESC1CCC(CNCCSCC2CC2)C1
InChIInChI=1S/C12H23NS/c1-2-4-11(3-1)9-13-7-8-14-10-12-5-6-12/h11-13H,1-10H2
InChIKeyYRNMKSCIGBYQPO-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 52.91
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-(cyclopentylmethylsulfanyl)ethyl]-3,3-dimethylbutan-1-amine
CID 63120002
N-(cyclopropylmethyl)-2-ethylsulfanylethanamine
CID 62578386
2-butoxy-N-[2-(cyclopentylmethylsulfanyl)ethyl]ethanamine
CID 63119973
N-[2-(cyclopentylmethylsulfanyl)ethyl]cyclohexanamine
CID 63119889
1-[2-(cyclohexylmethylamino)ethylsulfanyl]-2-methylpropan-2-ol
CID 115756854
2-benzylsulfanyl-N-(cyclohexylmethyl)ethanamine
CID 60665212
N-(cyclopentylmethyl)-2-(cyclopropylmethoxy)ethanamine
CID 62599762
2-ethylsulfanyl-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 104668516
2-cyclononyl-N-(cyclononylmethyl)ethanamine
CID 91347612
2-(cycloundecylmethylamino)ethanol
CID 123930521
3-(cyclopentylmethylsulfanyl)propanal
CID 63119784
N-(cyclobutylmethyl)-2-cyclohexylethanamine
CID 65457561

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-(cyclopropylmethylsulfanyl)ethanamine?
The IUPAC name of N-(cyclopentylmethyl)-2-(cyclopropylmethylsulfanyl)ethanamine (CID 115908421) is N-(cyclopentylmethyl)-2-(cyclopropylmethylsulfanyl)ethanamine.
What is the SMILES notation for N-(cyclopentylmethyl)-2-(cyclopropylmethylsulfanyl)ethanamine?
The canonical SMILES for N-(cyclopentylmethyl)-2-(cyclopropylmethylsulfanyl)ethanamine is C1CCC(CNCCSCC2CC2)C1.
What is the InChIKey of N-(cyclopentylmethyl)-2-(cyclopropylmethylsulfanyl)ethanamine?
The InChIKey is YRNMKSCIGBYQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-2-4-11(3-1)9-13-7-8-14-10-12-5-6-12/h11-13H,1-10H2.
What are the key properties of N-(cyclopentylmethyl)-2-(cyclopropylmethylsulfanyl)ethanamine?
N-(cyclopentylmethyl)-2-(cyclopropylmethylsulfanyl)ethanamine has a molecular weight of 213.39 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-(cyclopropylmethylsulfanyl)ethanamine is sourced from PubChem (CID 115908421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).