N-(2-prop-2-ynylsulfanylethyl)pentan-3-amine

C10H19NS — CID 103902575

IUPACN-(2-prop-2-ynylsulfanylethyl)pentan-3-amine
SMILESC#CCSCCNC(CC)CC
InChIInChI=1S/C10H19NS/c1-4-8-12-9-7-11-10(5-2)6-3/h1,10-11H,5-9H2,2-3H3
InChIKeyGSPPRMHWJHUHAS-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.13
Rot. Bonds7

About N-(2-prop-2-ynylsulfanylethyl)pentan-3-amine

N-(2-prop-2-ynylsulfanylethyl)pentan-3-amine (PubChem CID 103902575) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is N-(2-prop-2-ynylsulfanylethyl)pentan-3-amine.

Molecular Properties

Compound NameN-(2-prop-2-ynylsulfanylethyl)pentan-3-amine
PubChem CID103902575
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC NameN-(2-prop-2-ynylsulfanylethyl)pentan-3-amine
SMILESC#CCSCCNC(CC)CC
InChIInChI=1S/C10H19NS/c1-4-8-12-9-7-11-10(5-2)6-3/h1,10-11H,5-9H2,2-3H3
InChIKeyGSPPRMHWJHUHAS-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.13
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

3-methyl-N-(2-prop-2-ynylsulfanylethyl)pentan-2-amine
CID 103902534
N-(2-prop-2-ynylsulfanylethyl)but-3-yn-2-amine
CID 106428583
2-N-(2-prop-2-ynylsulfanylethyl)propane-1,2-diamine
CID 106426592
N'-hydroxy-2-(2-prop-2-ynylsulfanylethylamino)butanimidamide
CID 106429178
N-pentan-3-yl-2-(2-prop-2-ynylsulfanylethylamino)acetamide
CID 106428897
1-(4-chlorophenyl)-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine
CID 113348660
1-(4-ethylphenyl)-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine
CID 114187320
N-ethyl-2-(2-prop-2-ynylsulfanylethylamino)propanamide
CID 106428869
2-bromo-N-(2-prop-2-ynylsulfanylethyl)butanamide
CID 106427093
methyl 2-(2-prop-2-ynylsulfanylethylamino)propanoate
CID 106426518
4-methoxy-N-(2-prop-2-ynylsulfanylethyl)butan-2-amine
CID 115891473
1-(2-methoxyphenyl)-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine
CID 103902552

Frequently Asked Questions

What is the IUPAC name of N-(2-prop-2-ynylsulfanylethyl)pentan-3-amine?
The IUPAC name of N-(2-prop-2-ynylsulfanylethyl)pentan-3-amine (CID 103902575) is N-(2-prop-2-ynylsulfanylethyl)pentan-3-amine.
What is the SMILES notation for N-(2-prop-2-ynylsulfanylethyl)pentan-3-amine?
The canonical SMILES for N-(2-prop-2-ynylsulfanylethyl)pentan-3-amine is C#CCSCCNC(CC)CC.
What is the InChIKey of N-(2-prop-2-ynylsulfanylethyl)pentan-3-amine?
The InChIKey is GSPPRMHWJHUHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-4-8-12-9-7-11-10(5-2)6-3/h1,10-11H,5-9H2,2-3H3.
What are the key properties of N-(2-prop-2-ynylsulfanylethyl)pentan-3-amine?
N-(2-prop-2-ynylsulfanylethyl)pentan-3-amine has a molecular weight of 185.34 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-prop-2-ynylsulfanylethyl)pentan-3-amine is sourced from PubChem (CID 103902575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).