N-[1-cyclopropyl-2-(furan-2-ylmethylsulfanyl)ethyl]propan-1-amine

C13H21NOS — CID 64612353

IUPACN-[1-cyclopropyl-2-(furan-2-ylmethylsulfanyl)ethyl]propan-1-amine
SMILESCCCNC(CSCc1ccco1)C1CC1
InChIInChI=1S/C13H21NOS/c1-2-7-14-13(11-5-6-11)10-16-9-12-4-3-8-15-12/h3-4,8,11,13-14H,2,5-7,9-10H2,1H3
InChIKeyPMRXOXNGMYFBBT-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.29
Rot. Bonds8

About N-[1-cyclopropyl-2-(furan-2-ylmethylsulfanyl)ethyl]propan-1-amine

N-[1-cyclopropyl-2-(furan-2-ylmethylsulfanyl)ethyl]propan-1-amine (PubChem CID 64612353) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is N-[1-cyclopropyl-2-(furan-2-ylmethylsulfanyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclopropyl-2-(furan-2-ylmethylsulfanyl)ethyl]propan-1-amine
PubChem CID64612353
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC NameN-[1-cyclopropyl-2-(furan-2-ylmethylsulfanyl)ethyl]propan-1-amine
SMILESCCCNC(CSCc1ccco1)C1CC1
InChIInChI=1S/C13H21NOS/c1-2-7-14-13(11-5-6-11)10-16-9-12-4-3-8-15-12/h3-4,8,11,13-14H,2,5-7,9-10H2,1H3
InChIKeyPMRXOXNGMYFBBT-UHFFFAOYSA-N
XLogP3.29
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(furan-2-ylmethylsulfanyl)-1-phenylethyl]propan-1-amine
CID 64609476
1-cyclopropyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]ethanamine
CID 62579053
N-[1-cyclopropyl-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 64610493
3-(furan-2-yl)-1-(oxolan-3-yl)-N-propylpropan-1-amine
CID 105147712
N-[2-(furan-2-yl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine
CID 83175112
N-[1-(1,1-dioxothiolan-3-yl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 83182675
1-(furan-2-yl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 83175814
1-cycloheptyl-3-(furan-2-yl)-N-propylpropan-2-amine
CID 105029141
N-(1-cyclopropyl-2-pentylsulfanylethyl)propan-1-amine
CID 107762893
N-[2-(furan-2-ylmethylsulfanyl)ethyl]pentan-2-amine
CID 62577157
N-[1-(2,3-dihydro-1H-inden-1-yl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 83174956
2-cyclopropyl-3-(furan-2-ylmethylsulfanyl)-2-(propylamino)propanenitrile
CID 63908229

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-2-(furan-2-ylmethylsulfanyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclopropyl-2-(furan-2-ylmethylsulfanyl)ethyl]propan-1-amine (CID 64612353) is N-[1-cyclopropyl-2-(furan-2-ylmethylsulfanyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclopropyl-2-(furan-2-ylmethylsulfanyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclopropyl-2-(furan-2-ylmethylsulfanyl)ethyl]propan-1-amine is CCCNC(CSCc1ccco1)C1CC1.
What is the InChIKey of N-[1-cyclopropyl-2-(furan-2-ylmethylsulfanyl)ethyl]propan-1-amine?
The InChIKey is PMRXOXNGMYFBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-2-7-14-13(11-5-6-11)10-16-9-12-4-3-8-15-12/h3-4,8,11,13-14H,2,5-7,9-10H2,1H3.
What are the key properties of N-[1-cyclopropyl-2-(furan-2-ylmethylsulfanyl)ethyl]propan-1-amine?
N-[1-cyclopropyl-2-(furan-2-ylmethylsulfanyl)ethyl]propan-1-amine has a molecular weight of 239.38 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-2-(furan-2-ylmethylsulfanyl)ethyl]propan-1-amine is sourced from PubChem (CID 64612353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).