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

C13H27NS — CID 107763231

IUPACN-[1-cyclopropyl-2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine
SMILESCCCNC(CSC(C)C(C)C)C1CC1
InChIInChI=1S/C13H27NS/c1-5-8-14-13(12-6-7-12)9-15-11(4)10(2)3/h10-14H,5-9H2,1-4H3
InChIKeyKMXDYCZUCLLUKE-UHFFFAOYSA-N
MW229.43 g/mol
LogP3.54
Rot. Bonds8

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

N-[1-cyclopropyl-2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine (PubChem CID 107763231) has the molecular formula C13H27NS and a molecular weight of 229.43 g/mol. Its IUPAC name is N-[1-cyclopropyl-2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclopropyl-2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine
PubChem CID107763231
Molecular FormulaC13H27NS
Molecular Weight229.43 g/mol
Exact Mass229.19
IUPAC NameN-[1-cyclopropyl-2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine
SMILESCCCNC(CSC(C)C(C)C)C1CC1
InChIInChI=1S/C13H27NS/c1-5-8-14-13(12-6-7-12)9-15-11(4)10(2)3/h10-14H,5-9H2,1-4H3
InChIKeyKMXDYCZUCLLUKE-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-cyclopropyl-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 64610493
N-(1-cyclopropyl-2-pentylsulfanylethyl)propan-1-amine
CID 107762893
1-(4-propan-2-ylcyclohexyl)-N-propylpropan-1-amine
CID 65424395
1-cyclopropyl-N-propylhexan-1-amine
CID 62600983
1-cyclopropyl-N-propyltridecan-1-amine
CID 63413531
1-(4-methylcyclohexyl)-N-propylpentan-1-amine
CID 63415743
2-butan-2-ylsulfanyl-1-cyclopropyl-N-ethylethanamine
CID 64614042
3-[2-cyclopentyl-2-(propylamino)ethyl]sulfanyl-2-methylpropan-1-ol
CID 104755887
1-cyclooctyl-3-methyl-N-propylbutan-1-amine
CID 80611346
1-cyclopropyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethanamine
CID 107757275
N-[2-cyclopropyl-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 64907023
N-[1-(4-methylcyclohexyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 79575417

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclopropyl-2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine (CID 107763231) is N-[1-cyclopropyl-2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclopropyl-2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclopropyl-2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine is CCCNC(CSC(C)C(C)C)C1CC1.
What is the InChIKey of N-[1-cyclopropyl-2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine?
The InChIKey is KMXDYCZUCLLUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS/c1-5-8-14-13(12-6-7-12)9-15-11(4)10(2)3/h10-14H,5-9H2,1-4H3.
What are the key properties of N-[1-cyclopropyl-2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine?
N-[1-cyclopropyl-2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine has a molecular weight of 229.43 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine is sourced from PubChem (CID 107763231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).