N-[2-propoxy-1-(thiolan-3-yl)ethyl]propan-1-amine

C12H25NOS — CID 105165367

IUPACN-[2-propoxy-1-(thiolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(COCCC)C1CCSC1
InChIInChI=1S/C12H25NOS/c1-3-6-13-12(9-14-7-4-2)11-5-8-15-10-11/h11-13H,3-10H2,1-2H3
InChIKeyXDXNUDIJDDIBLF-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.53
Rot. Bonds8

About N-[2-propoxy-1-(thiolan-3-yl)ethyl]propan-1-amine

N-[2-propoxy-1-(thiolan-3-yl)ethyl]propan-1-amine (PubChem CID 105165367) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is N-[2-propoxy-1-(thiolan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-propoxy-1-(thiolan-3-yl)ethyl]propan-1-amine
PubChem CID105165367
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC NameN-[2-propoxy-1-(thiolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(COCCC)C1CCSC1
InChIInChI=1S/C12H25NOS/c1-3-6-13-12(9-14-7-4-2)11-5-8-15-10-11/h11-13H,3-10H2,1-2H3
InChIKeyXDXNUDIJDDIBLF-UHFFFAOYSA-N
XLogP2.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.53
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-(1-cyclobutyl-2-propoxyethyl)propan-1-amine
CID 79574757
N-[1-cyclopentyl-2-(2-propoxyethoxy)ethyl]propan-1-amine
CID 104749456
N-[1-cyclopropyl-2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104560815
N-[1-cyclopropyl-2-(3,3-dimethylbutoxy)ethyl]propan-1-amine
CID 66233363
N-[1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105081992
3-cyclopentyl-N-propyl-1-(thiolan-3-yl)propan-1-amine
CID 114193134
3-cyclohexyl-N-propyl-1-(thiolan-3-yl)propan-1-amine
CID 114192980
N-[1-cyclopropyl-2-(cyclopropylmethoxy)ethyl]propan-1-amine
CID 63908760
N-[2-(3,5-difluorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105412296
N-[2-propoxy-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine
CID 105008553
N-[2-hexoxy-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 113448609
N-[1-cyclohexyl-2-(2-cyclopropylethoxy)ethyl]propan-1-amine
CID 114157400

Frequently Asked Questions

What is the IUPAC name of N-[2-propoxy-1-(thiolan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-propoxy-1-(thiolan-3-yl)ethyl]propan-1-amine (CID 105165367) is N-[2-propoxy-1-(thiolan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-propoxy-1-(thiolan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-propoxy-1-(thiolan-3-yl)ethyl]propan-1-amine is CCCNC(COCCC)C1CCSC1.
What is the InChIKey of N-[2-propoxy-1-(thiolan-3-yl)ethyl]propan-1-amine?
The InChIKey is XDXNUDIJDDIBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-3-6-13-12(9-14-7-4-2)11-5-8-15-10-11/h11-13H,3-10H2,1-2H3.
What are the key properties of N-[2-propoxy-1-(thiolan-3-yl)ethyl]propan-1-amine?
N-[2-propoxy-1-(thiolan-3-yl)ethyl]propan-1-amine has a molecular weight of 231.40 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-propoxy-1-(thiolan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105165367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).