N-ethyl-N-propylpentan-1-amine;3-methylsulfanylpropan-1-ol

C14H33NOS — CID 177142038

IUPACN-ethyl-N-propylpentan-1-amine;3-methylsulfanylpropan-1-ol
SMILESCCCCCN(CC)CCC.CSCCCO
InChIInChI=1S/C10H23N.C4H10OS/c1-4-7-8-10-11(6-3)9-5-2;1-6-4-2-3-5/h4-10H2,1-3H3;5H,2-4H2,1H3
InChIKeyHVLVEBKLJKAESJ-UHFFFAOYSA-N
MW263.49 g/mol
LogP3.64
Rot. Bonds10

About N-ethyl-N-propylpentan-1-amine;3-methylsulfanylpropan-1-ol

N-ethyl-N-propylpentan-1-amine;3-methylsulfanylpropan-1-ol (PubChem CID 177142038) has the molecular formula C14H33NOS and a molecular weight of 263.49 g/mol. Its IUPAC name is N-ethyl-N-propylpentan-1-amine;3-methylsulfanylpropan-1-ol.

Molecular Properties

Compound NameN-ethyl-N-propylpentan-1-amine;3-methylsulfanylpropan-1-ol
PubChem CID177142038
Molecular FormulaC14H33NOS
Molecular Weight263.49 g/mol
Exact Mass263.23
IUPAC NameN-ethyl-N-propylpentan-1-amine;3-methylsulfanylpropan-1-ol
SMILESCCCCCN(CC)CCC.CSCCCO
InChIInChI=1S/C10H23N.C4H10OS/c1-4-7-8-10-11(6-3)9-5-2;1-6-4-2-3-5/h4-10H2,1-3H3;5H,2-4H2,1H3
InChIKeyHVLVEBKLJKAESJ-UHFFFAOYSA-N
XLogP3.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.49
LogP ≤ 53.64
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

3-[ethyl(hexadecyl)amino]propan-1-ol
CID 138077517
N-ethyl-N-propyldecan-1-amine
CID 56933807
3-[decyl(propyl)amino]propan-1-ol
CID 13122229
2-[ethyl(nonyl)amino]ethanol
CID 62021397
ethane;N-ethyl-N-(2-methylsulfanylethyl)propan-1-amine
CID 144712183
ethane;N-ethyl-N-propylpropan-1-amine;hexane
CID 167521099
N-ethyl-N,N'-di(nonyl)-N'-propylpropane-1,3-diamine
CID 171750142
4-[4-hydroxybutyl(propyl)amino]butan-1-ol
CID 22184075
N-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine
CID 160957267
2-[octadecyl(propyl)amino]ethanol
CID 151447456
2-[hexadecyl(propyl)amino]ethanol
CID 18346925
10-[hexyl(10-hydroxydecyl)amino]decan-1-ol
CID 102117974

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propylpentan-1-amine;3-methylsulfanylpropan-1-ol?
The IUPAC name of N-ethyl-N-propylpentan-1-amine;3-methylsulfanylpropan-1-ol (CID 177142038) is N-ethyl-N-propylpentan-1-amine;3-methylsulfanylpropan-1-ol.
What is the SMILES notation for N-ethyl-N-propylpentan-1-amine;3-methylsulfanylpropan-1-ol?
The canonical SMILES for N-ethyl-N-propylpentan-1-amine;3-methylsulfanylpropan-1-ol is CCCCCN(CC)CCC.CSCCCO.
What is the InChIKey of N-ethyl-N-propylpentan-1-amine;3-methylsulfanylpropan-1-ol?
The InChIKey is HVLVEBKLJKAESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N.C4H10OS/c1-4-7-8-10-11(6-3)9-5-2;1-6-4-2-3-5/h4-10H2,1-3H3;5H,2-4H2,1H3.
What are the key properties of N-ethyl-N-propylpentan-1-amine;3-methylsulfanylpropan-1-ol?
N-ethyl-N-propylpentan-1-amine;3-methylsulfanylpropan-1-ol has a molecular weight of 263.49 g/mol, XLogP of 3.64, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propylpentan-1-amine;3-methylsulfanylpropan-1-ol is sourced from PubChem (CID 177142038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).