1-propylsulfanylundecan-2-amine

C14H31NS — CID 65129364

IUPAC1-propylsulfanylundecan-2-amine
SMILESCCCCCCCCCC(N)CSCCC
InChIInChI=1S/C14H31NS/c1-3-5-6-7-8-9-10-11-14(15)13-16-12-4-2/h14H,3-13,15H2,1-2H3
InChIKeyZZVCIBGFGCFNBM-UHFFFAOYSA-N
MW245.48 g/mol
LogP4.60
Rot. Bonds12

About 1-propylsulfanylundecan-2-amine

1-propylsulfanylundecan-2-amine (PubChem CID 65129364) has the molecular formula C14H31NS and a molecular weight of 245.48 g/mol. Its IUPAC name is 1-propylsulfanylundecan-2-amine.

Molecular Properties

Compound Name1-propylsulfanylundecan-2-amine
PubChem CID65129364
Molecular FormulaC14H31NS
Molecular Weight245.48 g/mol
Exact Mass245.22
IUPAC Name1-propylsulfanylundecan-2-amine
SMILESCCCCCCCCCC(N)CSCCC
InChIInChI=1S/C14H31NS/c1-3-5-6-7-8-9-10-11-14(15)13-16-12-4-2/h14H,3-13,15H2,1-2H3
InChIKeyZZVCIBGFGCFNBM-UHFFFAOYSA-N
XLogP4.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.48
LogP ≤ 54.60
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-methylsulfanyloctan-2-amine
CID 62693396
1-hexylsulfanylbutan-2-amine
CID 66228933
1-propylsulfanyloctan-2-ol
CID 65130128
1-propylsulfanyldecan-2-ylhydrazine
CID 105225668
1-propan-2-ylsulfanyldodecan-2-amine
CID 65131587
nonapentacontan-30-amine
CID 118952570
pentacosan-7-amine
CID 88938409
henicosane-8,14-diamine;dihydrochloride
CID 170909168
octadecan-9-amine;hydrochloride
CID 19002510
N-ethyl-1-propylsulfanyloctan-2-amine
CID 65128622
1-methylsulfanyltridecan-3-amine
CID 105138240
tridecan-3-amine
CID 19435959

Frequently Asked Questions

What is the IUPAC name of 1-propylsulfanylundecan-2-amine?
The IUPAC name of 1-propylsulfanylundecan-2-amine (CID 65129364) is 1-propylsulfanylundecan-2-amine.
What is the SMILES notation for 1-propylsulfanylundecan-2-amine?
The canonical SMILES for 1-propylsulfanylundecan-2-amine is CCCCCCCCCC(N)CSCCC.
What is the InChIKey of 1-propylsulfanylundecan-2-amine?
The InChIKey is ZZVCIBGFGCFNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NS/c1-3-5-6-7-8-9-10-11-14(15)13-16-12-4-2/h14H,3-13,15H2,1-2H3.
What are the key properties of 1-propylsulfanylundecan-2-amine?
1-propylsulfanylundecan-2-amine has a molecular weight of 245.48 g/mol, XLogP of 4.60, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfanylundecan-2-amine is sourced from PubChem (CID 65129364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).