4-nonylthiolan-3-amine

C13H27NS — CID 83196598

IUPAC4-nonylthiolan-3-amine
SMILESCCCCCCCCCC1CSCC1N
InChIInChI=1S/C13H27NS/c1-2-3-4-5-6-7-8-9-12-10-15-11-13(12)14/h12-13H,2-11,14H2,1H3
InChIKeyWXXZSEYCTODOKS-UHFFFAOYSA-N
MW229.43 g/mol
LogP3.82
Rot. Bonds8

About 4-nonylthiolan-3-amine

4-nonylthiolan-3-amine (PubChem CID 83196598) has the molecular formula C13H27NS and a molecular weight of 229.43 g/mol. Its IUPAC name is 4-nonylthiolan-3-amine.

Molecular Properties

Compound Name4-nonylthiolan-3-amine
PubChem CID83196598
Molecular FormulaC13H27NS
Molecular Weight229.43 g/mol
Exact Mass229.19
IUPAC Name4-nonylthiolan-3-amine
SMILESCCCCCCCCCC1CSCC1N
InChIInChI=1S/C13H27NS/c1-2-3-4-5-6-7-8-9-12-10-15-11-13(12)14/h12-13H,2-11,14H2,1H3
InChIKeyWXXZSEYCTODOKS-UHFFFAOYSA-N
XLogP3.82
TPSA26.02 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 ≤ 53.82
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-chloro-4-octylthiolane
CID 83191147
4-butylthian-3-amine
CID 84766556
4-octyl-N-propylthiolan-3-amine
CID 83196109
1-hexyl-2-undecylcyclopropane
CID 58049498
1,2-dioctylcyclopropane
CID 21337627
4-[3-(2-methoxyethoxy)propyl]thiolan-3-amine
CID 103410771
4-butylthiolan-3-ol
CID 83190040
2-heptylcyclohexan-1-amine
CID 23132318
trans-(1S,2R)-2-octylcyclopentan-1-amine
CID 97292499
2-dodecylcyclohexan-1-amine
CID 63400047
3-dodecyl-2-methylcyclopentan-1-amine
CID 64908094
1-propyl-2-undecylcyclopropane
CID 123636027

Frequently Asked Questions

What is the IUPAC name of 4-nonylthiolan-3-amine?
The IUPAC name of 4-nonylthiolan-3-amine (CID 83196598) is 4-nonylthiolan-3-amine.
What is the SMILES notation for 4-nonylthiolan-3-amine?
The canonical SMILES for 4-nonylthiolan-3-amine is CCCCCCCCCC1CSCC1N.
What is the InChIKey of 4-nonylthiolan-3-amine?
The InChIKey is WXXZSEYCTODOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS/c1-2-3-4-5-6-7-8-9-12-10-15-11-13(12)14/h12-13H,2-11,14H2,1H3.
What are the key properties of 4-nonylthiolan-3-amine?
4-nonylthiolan-3-amine has a molecular weight of 229.43 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nonylthiolan-3-amine is sourced from PubChem (CID 83196598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).