N-tert-butyl-1,5-bis(propan-2-ylsulfanyl)pentan-3-amine

C15H33NS2 — CID 162770930

IUPACN-tert-butyl-1,5-bis(propan-2-ylsulfanyl)pentan-3-amine
SMILESCC(C)SCCC(CCSC(C)C)NC(C)(C)C
InChIInChI=1S/C15H33NS2/c1-12(2)17-10-8-14(16-15(5,6)7)9-11-18-13(3)4/h12-14,16H,8-11H2,1-7H3
InChIKeyHLZBFJZZENWMGP-UHFFFAOYSA-N
MW291.57 g/mol
LogP4.81
Rot. Bonds9

About N-tert-butyl-1,5-bis(propan-2-ylsulfanyl)pentan-3-amine

N-tert-butyl-1,5-bis(propan-2-ylsulfanyl)pentan-3-amine (PubChem CID 162770930) has the molecular formula C15H33NS2 and a molecular weight of 291.57 g/mol. Its IUPAC name is N-tert-butyl-1,5-bis(propan-2-ylsulfanyl)pentan-3-amine.

Molecular Properties

Compound NameN-tert-butyl-1,5-bis(propan-2-ylsulfanyl)pentan-3-amine
PubChem CID162770930
Molecular FormulaC15H33NS2
Molecular Weight291.57 g/mol
Exact Mass291.21
IUPAC NameN-tert-butyl-1,5-bis(propan-2-ylsulfanyl)pentan-3-amine
SMILESCC(C)SCCC(CCSC(C)C)NC(C)(C)C
InChIInChI=1S/C15H33NS2/c1-12(2)17-10-8-14(16-15(5,6)7)9-11-18-13(3)4/h12-14,16H,8-11H2,1-7H3
InChIKeyHLZBFJZZENWMGP-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.57
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1,5-bis(propan-2-ylsulfanyl)pentan-3-amine?
The IUPAC name of N-tert-butyl-1,5-bis(propan-2-ylsulfanyl)pentan-3-amine (CID 162770930) is N-tert-butyl-1,5-bis(propan-2-ylsulfanyl)pentan-3-amine.
What is the SMILES notation for N-tert-butyl-1,5-bis(propan-2-ylsulfanyl)pentan-3-amine?
The canonical SMILES for N-tert-butyl-1,5-bis(propan-2-ylsulfanyl)pentan-3-amine is CC(C)SCCC(CCSC(C)C)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-1,5-bis(propan-2-ylsulfanyl)pentan-3-amine?
The InChIKey is HLZBFJZZENWMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NS2/c1-12(2)17-10-8-14(16-15(5,6)7)9-11-18-13(3)4/h12-14,16H,8-11H2,1-7H3.
What are the key properties of N-tert-butyl-1,5-bis(propan-2-ylsulfanyl)pentan-3-amine?
N-tert-butyl-1,5-bis(propan-2-ylsulfanyl)pentan-3-amine has a molecular weight of 291.57 g/mol, XLogP of 4.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1,5-bis(propan-2-ylsulfanyl)pentan-3-amine is sourced from PubChem (CID 162770930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).