4-(2-aminoethyl)-N,3-dimethyl-N-(3-methylsulfanylpropyl)aniline

C14H24N2S — CID 114238540

IUPAC4-(2-aminoethyl)-N,3-dimethyl-N-(3-methylsulfanylpropyl)aniline
SMILESCSCCCN(C)c1ccc(CCN)c(C)c1
InChIInChI=1S/C14H24N2S/c1-12-11-14(6-5-13(12)7-8-15)16(2)9-4-10-17-3/h5-6,11H,4,7-10,15H2,1-3H3
InChIKeyJQUHNBQLZVHPHV-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.69
Rot. Bonds7

About 4-(2-aminoethyl)-N,3-dimethyl-N-(3-methylsulfanylpropyl)aniline

4-(2-aminoethyl)-N,3-dimethyl-N-(3-methylsulfanylpropyl)aniline (PubChem CID 114238540) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N,3-dimethyl-N-(3-methylsulfanylpropyl)aniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-N,3-dimethyl-N-(3-methylsulfanylpropyl)aniline
PubChem CID114238540
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name4-(2-aminoethyl)-N,3-dimethyl-N-(3-methylsulfanylpropyl)aniline
SMILESCSCCCN(C)c1ccc(CCN)c(C)c1
InChIInChI=1S/C14H24N2S/c1-12-11-14(6-5-13(12)7-8-15)16(2)9-4-10-17-3/h5-6,11H,4,7-10,15H2,1-3H3
InChIKeyJQUHNBQLZVHPHV-UHFFFAOYSA-N
XLogP2.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N,3-dimethyl-N-(3-methylsulfanylpropyl)aniline?
The IUPAC name of 4-(2-aminoethyl)-N,3-dimethyl-N-(3-methylsulfanylpropyl)aniline (CID 114238540) is 4-(2-aminoethyl)-N,3-dimethyl-N-(3-methylsulfanylpropyl)aniline.
What is the SMILES notation for 4-(2-aminoethyl)-N,3-dimethyl-N-(3-methylsulfanylpropyl)aniline?
The canonical SMILES for 4-(2-aminoethyl)-N,3-dimethyl-N-(3-methylsulfanylpropyl)aniline is CSCCCN(C)c1ccc(CCN)c(C)c1.
What is the InChIKey of 4-(2-aminoethyl)-N,3-dimethyl-N-(3-methylsulfanylpropyl)aniline?
The InChIKey is JQUHNBQLZVHPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-12-11-14(6-5-13(12)7-8-15)16(2)9-4-10-17-3/h5-6,11H,4,7-10,15H2,1-3H3.
What are the key properties of 4-(2-aminoethyl)-N,3-dimethyl-N-(3-methylsulfanylpropyl)aniline?
4-(2-aminoethyl)-N,3-dimethyl-N-(3-methylsulfanylpropyl)aniline has a molecular weight of 252.43 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N,3-dimethyl-N-(3-methylsulfanylpropyl)aniline is sourced from PubChem (CID 114238540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).