N-(1-cyclopropyl-2-pentylsulfanylethyl)propan-1-amine

C13H27NS — CID 107762893

IUPACN-(1-cyclopropyl-2-pentylsulfanylethyl)propan-1-amine
SMILESCCCCCSCC(NCCC)C1CC1
InChIInChI=1S/C13H27NS/c1-3-5-6-10-15-11-13(12-7-8-12)14-9-4-2/h12-14H,3-11H2,1-2H3
InChIKeySZAOIWIMITXUOZ-UHFFFAOYSA-N
MW229.43 g/mol
LogP3.69
Rot. Bonds10

About N-(1-cyclopropyl-2-pentylsulfanylethyl)propan-1-amine

N-(1-cyclopropyl-2-pentylsulfanylethyl)propan-1-amine (PubChem CID 107762893) has the molecular formula C13H27NS and a molecular weight of 229.43 g/mol. Its IUPAC name is N-(1-cyclopropyl-2-pentylsulfanylethyl)propan-1-amine.

Molecular Properties

Compound NameN-(1-cyclopropyl-2-pentylsulfanylethyl)propan-1-amine
PubChem CID107762893
Molecular FormulaC13H27NS
Molecular Weight229.43 g/mol
Exact Mass229.19
IUPAC NameN-(1-cyclopropyl-2-pentylsulfanylethyl)propan-1-amine
SMILESCCCCCSCC(NCCC)C1CC1
InChIInChI=1S/C13H27NS/c1-3-5-6-10-15-11-13(12-7-8-12)14-9-4-2/h12-14H,3-11H2,1-2H3
InChIKeySZAOIWIMITXUOZ-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.43
LogP ≤ 53.69
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

3-[2-cyclohexyl-2-(propylamino)ethyl]sulfanylpropan-1-ol
CID 104755914
N-[1-cyclopropyl-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 64610493
1-cyclopropyl-N-propylhexan-1-amine
CID 62600983
2-butylsulfanyl-1-cyclopentyl-N-ethylethanamine
CID 104755000
1-cyclopropyl-N-propyltridecan-1-amine
CID 63413531
N-[1-cyclopropyl-2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine
CID 107763231
1-(4-methylcyclohexyl)-N-propylpentan-1-amine
CID 63415743
1-cyclobutyl-N-propyldodecan-1-amine
CID 105049365
3-[2-cyclopentyl-2-(propylamino)ethyl]sulfanyl-2-methylpropan-1-ol
CID 104755887
N-[1-cyclopropyl-2-(furan-2-ylmethylsulfanyl)ethyl]propan-1-amine
CID 64612353
1-(4-propan-2-ylcyclohexyl)-N-propylpropan-1-amine
CID 65424395
N-propyl-1-propylsulfanylheptan-2-amine
CID 65129217

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-2-pentylsulfanylethyl)propan-1-amine?
The IUPAC name of N-(1-cyclopropyl-2-pentylsulfanylethyl)propan-1-amine (CID 107762893) is N-(1-cyclopropyl-2-pentylsulfanylethyl)propan-1-amine.
What is the SMILES notation for N-(1-cyclopropyl-2-pentylsulfanylethyl)propan-1-amine?
The canonical SMILES for N-(1-cyclopropyl-2-pentylsulfanylethyl)propan-1-amine is CCCCCSCC(NCCC)C1CC1.
What is the InChIKey of N-(1-cyclopropyl-2-pentylsulfanylethyl)propan-1-amine?
The InChIKey is SZAOIWIMITXUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS/c1-3-5-6-10-15-11-13(12-7-8-12)14-9-4-2/h12-14H,3-11H2,1-2H3.
What are the key properties of N-(1-cyclopropyl-2-pentylsulfanylethyl)propan-1-amine?
N-(1-cyclopropyl-2-pentylsulfanylethyl)propan-1-amine has a molecular weight of 229.43 g/mol, XLogP of 3.69, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-2-pentylsulfanylethyl)propan-1-amine is sourced from PubChem (CID 107762893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).