N-(2-prop-2-enylsulfanylethyl)pent-4-en-1-amine

C10H19NS — CID 106427930

IUPACN-(2-prop-2-enylsulfanylethyl)pent-4-en-1-amine
SMILESC=CCCCNCCSCC=C
InChIInChI=1S/C10H19NS/c1-3-5-6-7-11-8-10-12-9-4-2/h3-4,11H,1-2,5-10H2
InChIKeyFLSCQBBQIIRJNU-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.46
Rot. Bonds9

About N-(2-prop-2-enylsulfanylethyl)pent-4-en-1-amine

N-(2-prop-2-enylsulfanylethyl)pent-4-en-1-amine (PubChem CID 106427930) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is N-(2-prop-2-enylsulfanylethyl)pent-4-en-1-amine.

Molecular Properties

Compound NameN-(2-prop-2-enylsulfanylethyl)pent-4-en-1-amine
PubChem CID106427930
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC NameN-(2-prop-2-enylsulfanylethyl)pent-4-en-1-amine
SMILESC=CCCCNCCSCC=C
InChIInChI=1S/C10H19NS/c1-3-5-6-7-11-8-10-12-9-4-2/h3-4,11H,1-2,5-10H2
InChIKeyFLSCQBBQIIRJNU-UHFFFAOYSA-N
XLogP2.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine
CID 106427514
N-[2-(trifluoromethylsulfanyl)ethyl]pent-4-en-1-amine
CID 106429395
2-methyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-1-amine
CID 57186297
N-[(2-methyl-3H-thiophen-2-yl)methyl]ethanamine
CID 57261495
N-(3-methylsulfanylpropyl)but-3-en-1-amine
CID 57591259
N-(2-methylsulfanylethyl)but-3-en-1-amine
CID 64314910
N-(3-methylsulfanylpropyl)pent-4-en-1-amine
CID 64315148
Azane;2-prop-2-enylthiomorpholine
CID 66900119
2-Prop-2-enylthiomorpholine
CID 66900120
3-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]-N-propylpropan-1-amine
CID 68344038
N-ethyl-5-methylsulfanylpent-1-en-3-amine
CID 88563800
5-methylsulfanyl-N-propylpent-1-en-3-amine
CID 89229161

Frequently Asked Questions

What is the IUPAC name of N-(2-prop-2-enylsulfanylethyl)pent-4-en-1-amine?
The IUPAC name of N-(2-prop-2-enylsulfanylethyl)pent-4-en-1-amine (CID 106427930) is N-(2-prop-2-enylsulfanylethyl)pent-4-en-1-amine.
What is the SMILES notation for N-(2-prop-2-enylsulfanylethyl)pent-4-en-1-amine?
The canonical SMILES for N-(2-prop-2-enylsulfanylethyl)pent-4-en-1-amine is C=CCCCNCCSCC=C.
What is the InChIKey of N-(2-prop-2-enylsulfanylethyl)pent-4-en-1-amine?
The InChIKey is FLSCQBBQIIRJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-3-5-6-7-11-8-10-12-9-4-2/h3-4,11H,1-2,5-10H2.
What are the key properties of N-(2-prop-2-enylsulfanylethyl)pent-4-en-1-amine?
N-(2-prop-2-enylsulfanylethyl)pent-4-en-1-amine has a molecular weight of 185.34 g/mol, XLogP of 2.46, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-prop-2-enylsulfanylethyl)pent-4-en-1-amine is sourced from PubChem (CID 106427930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).