1-(4-propylphenyl)-N-(2-prop-2-ynylsulfanylethyl)ethanamine

C16H23NS — CID 106426162

IUPAC1-(4-propylphenyl)-N-(2-prop-2-ynylsulfanylethyl)ethanamine
SMILESC#CCSCCNC(C)c1ccc(CCC)cc1
InChIInChI=1S/C16H23NS/c1-4-6-15-7-9-16(10-8-15)14(3)17-11-13-18-12-5-2/h2,7-10,14,17H,4,6,11-13H2,1,3H3
InChIKeyHMWXCGZQPVFCEY-UHFFFAOYSA-N
MW261.43 g/mol
LogP3.66
Rot. Bonds8

About 1-(4-propylphenyl)-N-(2-prop-2-ynylsulfanylethyl)ethanamine

1-(4-propylphenyl)-N-(2-prop-2-ynylsulfanylethyl)ethanamine (PubChem CID 106426162) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is 1-(4-propylphenyl)-N-(2-prop-2-ynylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name1-(4-propylphenyl)-N-(2-prop-2-ynylsulfanylethyl)ethanamine
PubChem CID106426162
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC Name1-(4-propylphenyl)-N-(2-prop-2-ynylsulfanylethyl)ethanamine
SMILESC#CCSCCNC(C)c1ccc(CCC)cc1
InChIInChI=1S/C16H23NS/c1-4-6-15-7-9-16(10-8-15)14(3)17-11-13-18-12-5-2/h2,7-10,14,17H,4,6,11-13H2,1,3H3
InChIKeyHMWXCGZQPVFCEY-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-N-(2-prop-2-ynylsulfanylethyl)ethanamine
CID 115668118
N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43185206
1-(4-ethylphenyl)-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine
CID 114187320
1-(2,3-dihydro-1H-inden-5-yl)-N-(2-prop-2-ynylsulfanylethyl)ethanamine
CID 103902490
1-(1,3-benzodioxol-5-yl)-N-(2-prop-2-ynylsulfanylethyl)ethanamine
CID 113348671
N-[1-(4-propylphenyl)ethyl]pent-3-yn-1-amine
CID 116642928
2-methyl-3-methylsulfanyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 63983664
N-(2-prop-2-ynylsulfanylethyl)but-3-yn-2-amine
CID 106428583
1-(4-chlorophenyl)-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine
CID 113348660
N-(2-prop-2-ynylsulfanylethyl)-1-pyridin-2-ylethanamine
CID 115891511
3-propan-2-yloxy-N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43102654
N-(2-ethylsulfinylethyl)-1-(4-propylphenyl)ethanamine
CID 115718883

Frequently Asked Questions

What is the IUPAC name of 1-(4-propylphenyl)-N-(2-prop-2-ynylsulfanylethyl)ethanamine?
The IUPAC name of 1-(4-propylphenyl)-N-(2-prop-2-ynylsulfanylethyl)ethanamine (CID 106426162) is 1-(4-propylphenyl)-N-(2-prop-2-ynylsulfanylethyl)ethanamine.
What is the SMILES notation for 1-(4-propylphenyl)-N-(2-prop-2-ynylsulfanylethyl)ethanamine?
The canonical SMILES for 1-(4-propylphenyl)-N-(2-prop-2-ynylsulfanylethyl)ethanamine is C#CCSCCNC(C)c1ccc(CCC)cc1.
What is the InChIKey of 1-(4-propylphenyl)-N-(2-prop-2-ynylsulfanylethyl)ethanamine?
The InChIKey is HMWXCGZQPVFCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS/c1-4-6-15-7-9-16(10-8-15)14(3)17-11-13-18-12-5-2/h2,7-10,14,17H,4,6,11-13H2,1,3H3.
What are the key properties of 1-(4-propylphenyl)-N-(2-prop-2-ynylsulfanylethyl)ethanamine?
1-(4-propylphenyl)-N-(2-prop-2-ynylsulfanylethyl)ethanamine has a molecular weight of 261.43 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylphenyl)-N-(2-prop-2-ynylsulfanylethyl)ethanamine is sourced from PubChem (CID 106426162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).