1-cyclopropyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethanamine

C12H25NS — CID 107757275

IUPAC1-cyclopropyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethanamine
SMILESCC(C)C(C)SCCNC(C)C1CC1
InChIInChI=1S/C12H25NS/c1-9(2)11(4)14-8-7-13-10(3)12-5-6-12/h9-13H,5-8H2,1-4H3
InChIKeyHVPGCWZRRLUVQE-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.15
Rot. Bonds7

About 1-cyclopropyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethanamine

1-cyclopropyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethanamine (PubChem CID 107757275) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethanamine
PubChem CID107757275
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name1-cyclopropyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethanamine
SMILESCC(C)C(C)SCCNC(C)C1CC1
InChIInChI=1S/C12H25NS/c1-9(2)11(4)14-8-7-13-10(3)12-5-6-12/h9-13H,5-8H2,1-4H3
InChIKeyHVPGCWZRRLUVQE-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.15
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

1-cyclopropyl-N-(2-methylsulfanylethyl)ethanamine
CID 60696328
3-methyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]butan-2-amine
CID 107757318
(1S)-1-cyclohexyl-N-(2-methylsulfanylethyl)ethanamine
CID 104863405
(1S)-1-cycloheptyl-N-(2-methylsulfanylethyl)ethanamine
CID 104580013
3-[2-(1-cyclopropylethylamino)ethylsulfanyl]propan-1-ol
CID 115676871
N-(1-cyclopropylethyl)dodecan-1-amine
CID 55195999
N-(2-methylsulfanylethyl)-1-(oxan-4-yl)ethanamine
CID 115706242
(1R)-1-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 104891285
(1S)-1-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 104891284
N-[1-cyclopropyl-2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine
CID 107763231
4-(1-cyclopropylethylamino)butan-2-ol
CID 64911110
1-cyclopropyl-N-(2-methoxyethyl)ethanamine
CID 43190130

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethanamine?
The IUPAC name of 1-cyclopropyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethanamine (CID 107757275) is 1-cyclopropyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethanamine is CC(C)C(C)SCCNC(C)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethanamine?
The InChIKey is HVPGCWZRRLUVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-9(2)11(4)14-8-7-13-10(3)12-5-6-12/h9-13H,5-8H2,1-4H3.
What are the key properties of 1-cyclopropyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethanamine?
1-cyclopropyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethanamine has a molecular weight of 215.41 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethanamine is sourced from PubChem (CID 107757275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).