N-ethyl-5-(1H-imidazol-2-ylsulfanyl)pentan-2-amine

C10H19N3S — CID 107784010

IUPACN-ethyl-5-(1H-imidazol-2-ylsulfanyl)pentan-2-amine
SMILESCCNC(C)CCCSc1ncc[nH]1
InChIInChI=1S/C10H19N3S/c1-3-11-9(2)5-4-8-14-10-12-6-7-13-10/h6-7,9,11H,3-5,8H2,1-2H3,(H,12,13)
InChIKeyOQPCAJBMGFEYPA-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.28
Rot. Bonds7

About N-ethyl-5-(1H-imidazol-2-ylsulfanyl)pentan-2-amine

N-ethyl-5-(1H-imidazol-2-ylsulfanyl)pentan-2-amine (PubChem CID 107784010) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is N-ethyl-5-(1H-imidazol-2-ylsulfanyl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(1H-imidazol-2-ylsulfanyl)pentan-2-amine
PubChem CID107784010
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC NameN-ethyl-5-(1H-imidazol-2-ylsulfanyl)pentan-2-amine
SMILESCCNC(C)CCCSc1ncc[nH]1
InChIInChI=1S/C10H19N3S/c1-3-11-9(2)5-4-8-14-10-12-6-7-13-10/h6-7,9,11H,3-5,8H2,1-2H3,(H,12,13)
InChIKeyOQPCAJBMGFEYPA-UHFFFAOYSA-N
XLogP2.28
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-6-(1H-imidazol-2-ylsulfanyl)hexan-3-amine
CID 107783983
N-[2-(1H-imidazol-2-ylsulfanyl)ethyl]heptan-2-amine
CID 107782431
6-(1H-imidazol-2-ylsulfanyl)-N-methylhexan-2-amine
CID 107783913
N-[2-(1H-imidazol-2-ylsulfanyl)ethyl]-5-methylhexan-2-amine
CID 107782493
N-ethyl-3-(1H-imidazol-2-ylsulfanyl)propan-1-amine
CID 107781363
N-ethyl-5-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine
CID 64626311
3-(1H-imidazol-2-ylsulfanyl)-N-methylpropan-1-amine
CID 107781358
1-(1H-imidazol-2-ylsulfanyl)-N-propylpropan-2-amine
CID 107783836
3-(1H-imidazol-2-ylsulfanyl)propan-1-ol
CID 19031092
2-(3-bromopropylsulfanyl)-1H-imidazole
CID 107779117
4-(1H-imidazol-2-ylsulfanyl)butan-1-ol
CID 107780906
N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 107783914

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(1H-imidazol-2-ylsulfanyl)pentan-2-amine?
The IUPAC name of N-ethyl-5-(1H-imidazol-2-ylsulfanyl)pentan-2-amine (CID 107784010) is N-ethyl-5-(1H-imidazol-2-ylsulfanyl)pentan-2-amine.
What is the SMILES notation for N-ethyl-5-(1H-imidazol-2-ylsulfanyl)pentan-2-amine?
The canonical SMILES for N-ethyl-5-(1H-imidazol-2-ylsulfanyl)pentan-2-amine is CCNC(C)CCCSc1ncc[nH]1.
What is the InChIKey of N-ethyl-5-(1H-imidazol-2-ylsulfanyl)pentan-2-amine?
The InChIKey is OQPCAJBMGFEYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-3-11-9(2)5-4-8-14-10-12-6-7-13-10/h6-7,9,11H,3-5,8H2,1-2H3,(H,12,13).
What are the key properties of N-ethyl-5-(1H-imidazol-2-ylsulfanyl)pentan-2-amine?
N-ethyl-5-(1H-imidazol-2-ylsulfanyl)pentan-2-amine has a molecular weight of 213.35 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(1H-imidazol-2-ylsulfanyl)pentan-2-amine is sourced from PubChem (CID 107784010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).