2-butoxy-N-[2-(cyclopentylmethylsulfanyl)ethyl]ethanamine

C14H29NOS — CID 63119973

IUPAC2-butoxy-N-[2-(cyclopentylmethylsulfanyl)ethyl]ethanamine
SMILESCCCCOCCNCCSCC1CCCC1
InChIInChI=1S/C14H29NOS/c1-2-3-10-16-11-8-15-9-12-17-13-14-6-4-5-7-14/h14-15H,2-13H2,1H3
InChIKeyFDMVLBHJORKBMM-UHFFFAOYSA-N
MW259.46 g/mol
LogP3.32
Rot. Bonds11

About 2-butoxy-N-[2-(cyclopentylmethylsulfanyl)ethyl]ethanamine

2-butoxy-N-[2-(cyclopentylmethylsulfanyl)ethyl]ethanamine (PubChem CID 63119973) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is 2-butoxy-N-[2-(cyclopentylmethylsulfanyl)ethyl]ethanamine.

Molecular Properties

Compound Name2-butoxy-N-[2-(cyclopentylmethylsulfanyl)ethyl]ethanamine
PubChem CID63119973
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC Name2-butoxy-N-[2-(cyclopentylmethylsulfanyl)ethyl]ethanamine
SMILESCCCCOCCNCCSCC1CCCC1
InChIInChI=1S/C14H29NOS/c1-2-3-10-16-11-8-15-9-12-17-13-14-6-4-5-7-14/h14-15H,2-13H2,1H3
InChIKeyFDMVLBHJORKBMM-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopentylmethyl)-2-(cyclopropylmethylsulfanyl)ethanamine
CID 115908421
N-(cyclopentylmethyl)-2-heptoxyethanamine
CID 62598497
N-[2-(cyclopentylmethylsulfanyl)ethyl]-3,3-dimethylbutan-1-amine
CID 63120002
N-(2-butoxyethyl)-N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine
CID 55248291
2-butoxy-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine
CID 62576536
2-butoxy-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 106427700
2-butoxy-N-[2-(2-methylbutylsulfanyl)ethyl]ethanamine
CID 107757478
1-(2-butoxyethylamino)-3-cyclopentylpropan-2-ol
CID 103157414
N-(cyclopentylmethyl)-2-(2-propoxyethoxy)ethanamine
CID 63686610
2-butoxy-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 63243752
N-[2-(2-cyclopropylethoxy)ethyl]butan-1-amine
CID 106206265
N-(2-butoxyethyl)heptan-1-amine
CID 61168932

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[2-(cyclopentylmethylsulfanyl)ethyl]ethanamine?
The IUPAC name of 2-butoxy-N-[2-(cyclopentylmethylsulfanyl)ethyl]ethanamine (CID 63119973) is 2-butoxy-N-[2-(cyclopentylmethylsulfanyl)ethyl]ethanamine.
What is the SMILES notation for 2-butoxy-N-[2-(cyclopentylmethylsulfanyl)ethyl]ethanamine?
The canonical SMILES for 2-butoxy-N-[2-(cyclopentylmethylsulfanyl)ethyl]ethanamine is CCCCOCCNCCSCC1CCCC1.
What is the InChIKey of 2-butoxy-N-[2-(cyclopentylmethylsulfanyl)ethyl]ethanamine?
The InChIKey is FDMVLBHJORKBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-2-3-10-16-11-8-15-9-12-17-13-14-6-4-5-7-14/h14-15H,2-13H2,1H3.
What are the key properties of 2-butoxy-N-[2-(cyclopentylmethylsulfanyl)ethyl]ethanamine?
2-butoxy-N-[2-(cyclopentylmethylsulfanyl)ethyl]ethanamine has a molecular weight of 259.46 g/mol, XLogP of 3.32, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[2-(cyclopentylmethylsulfanyl)ethyl]ethanamine is sourced from PubChem (CID 63119973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).