N-(2-cyclopentylsulfanylethyl)-3-propan-2-yloxypropan-1-amine

C13H27NOS — CID 63115886

IUPACN-(2-cyclopentylsulfanylethyl)-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCCCNCCSC1CCCC1
InChIInChI=1S/C13H27NOS/c1-12(2)15-10-5-8-14-9-11-16-13-6-3-4-7-13/h12-14H,3-11H2,1-2H3
InChIKeyYFWPEUZWTKTHBO-UHFFFAOYSA-N
MW245.43 g/mol
LogP3.07
Rot. Bonds9

About N-(2-cyclopentylsulfanylethyl)-3-propan-2-yloxypropan-1-amine

N-(2-cyclopentylsulfanylethyl)-3-propan-2-yloxypropan-1-amine (PubChem CID 63115886) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylethyl)-3-propan-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylethyl)-3-propan-2-yloxypropan-1-amine
PubChem CID63115886
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC NameN-(2-cyclopentylsulfanylethyl)-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCCCNCCSC1CCCC1
InChIInChI=1S/C13H27NOS/c1-12(2)15-10-5-8-14-9-11-16-13-6-3-4-7-13/h12-14H,3-11H2,1-2H3
InChIKeyYFWPEUZWTKTHBO-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 53.07
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-(2-cyclopentylsulfanylethyl)-3-ethoxypropan-1-amine
CID 63115842
N-[2-(cyclopentylmethoxy)ethyl]-3-propan-2-yloxypropan-1-amine
CID 66323366
N-(3-propan-2-yloxypropyl)cycloheptanamine
CID 28726587
N-[2-(3-methoxypropylsulfanyl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 63857445
N-[2-(2-ethylcyclohexyl)oxyethyl]-3-propan-2-yloxypropan-1-amine
CID 62566897
N-(1-cyclohexylethyl)-3-propan-2-yloxypropan-1-amine
CID 43771372
3-methyl-N-(3-propan-2-yloxypropyl)butan-1-amine
CID 28726639
N'-tert-butyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 107444739
3-propan-2-yloxy-N-(2-undecoxyethyl)propan-1-amine
CID 22091458
2-cyclopentyloxy-N-(2-propan-2-yloxyethyl)ethanamine
CID 63826960
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-yloxypropan-1-amine
CID 113427495
N-[2-(4-methylpiperidin-1-yl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 62575890

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylethyl)-3-propan-2-yloxypropan-1-amine?
The IUPAC name of N-(2-cyclopentylsulfanylethyl)-3-propan-2-yloxypropan-1-amine (CID 63115886) is N-(2-cyclopentylsulfanylethyl)-3-propan-2-yloxypropan-1-amine.
What is the SMILES notation for N-(2-cyclopentylsulfanylethyl)-3-propan-2-yloxypropan-1-amine?
The canonical SMILES for N-(2-cyclopentylsulfanylethyl)-3-propan-2-yloxypropan-1-amine is CC(C)OCCCNCCSC1CCCC1.
What is the InChIKey of N-(2-cyclopentylsulfanylethyl)-3-propan-2-yloxypropan-1-amine?
The InChIKey is YFWPEUZWTKTHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS/c1-12(2)15-10-5-8-14-9-11-16-13-6-3-4-7-13/h12-14H,3-11H2,1-2H3.
What are the key properties of N-(2-cyclopentylsulfanylethyl)-3-propan-2-yloxypropan-1-amine?
N-(2-cyclopentylsulfanylethyl)-3-propan-2-yloxypropan-1-amine has a molecular weight of 245.43 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylethyl)-3-propan-2-yloxypropan-1-amine is sourced from PubChem (CID 63115886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).