N-(cyclopropylmethyl)-2-ethylsulfanylethanamine

C8H17NS — CID 62578386

IUPACN-(cyclopropylmethyl)-2-ethylsulfanylethanamine
SMILESCCSCCNCC1CC1
InChIInChI=1S/C8H17NS/c1-2-10-6-5-9-7-8-3-4-8/h8-9H,2-7H2,1H3
InChIKeyOLAPSQYJDRABCY-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.74
Rot. Bonds6

About N-(cyclopropylmethyl)-2-ethylsulfanylethanamine

N-(cyclopropylmethyl)-2-ethylsulfanylethanamine (PubChem CID 62578386) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-ethylsulfanylethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-ethylsulfanylethanamine
PubChem CID62578386
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC NameN-(cyclopropylmethyl)-2-ethylsulfanylethanamine
SMILESCCSCCNCC1CC1
InChIInChI=1S/C8H17NS/c1-2-10-6-5-9-7-8-3-4-8/h8-9H,2-7H2,1H3
InChIKeyOLAPSQYJDRABCY-UHFFFAOYSA-N
XLogP1.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethylsulfanyl-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 104668516
3-[(2-ethylsulfanylethylamino)methyl]cyclopentan-1-ol
CID 103275833
N-(cyclopentylmethyl)-2-(cyclopropylmethylsulfanyl)ethanamine
CID 115908421
chromium(3+);2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;trichloride
CID 139119576
1-[2-(cyclohexylmethylamino)ethylsulfanyl]-2-methylpropan-2-ol
CID 115756854
N-(cyclopropylmethyl)pentan-1-amine
CID 28566810
N-(cyclopropylmethyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine
CID 62770210
N-(oxolan-3-ylmethyl)-2-propylsulfanylethanamine
CID 62579243
N-[[4-(methylaminomethyl)cyclohexyl]methyl]propan-1-amine
CID 123988993
N-(cyclopropylmethyl)-2-methoxyethanamine
CID 19353678
2-N-(cyclopropylmethyl)-4-ethylsulfanylbutane-1,2-diamine
CID 116504161
N'-cyclopropyl-N-(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 60867855

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-ethylsulfanylethanamine?
The IUPAC name of N-(cyclopropylmethyl)-2-ethylsulfanylethanamine (CID 62578386) is N-(cyclopropylmethyl)-2-ethylsulfanylethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-ethylsulfanylethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-2-ethylsulfanylethanamine is CCSCCNCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-ethylsulfanylethanamine?
The InChIKey is OLAPSQYJDRABCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-2-10-6-5-9-7-8-3-4-8/h8-9H,2-7H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-2-ethylsulfanylethanamine?
N-(cyclopropylmethyl)-2-ethylsulfanylethanamine has a molecular weight of 159.30 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-ethylsulfanylethanamine is sourced from PubChem (CID 62578386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).