N-propan-2-yl-N-(propyldisulfanyl)propan-2-amine

C9H21NS2 — CID 88826745

IUPACN-propan-2-yl-N-(propyldisulfanyl)propan-2-amine
SMILESCCCSSN(C(C)C)C(C)C
InChIInChI=1S/C9H21NS2/c1-6-7-11-12-10(8(2)3)9(4)5/h8-9H,6-7H2,1-5H3
InChIKeyBRMSXBRAIPSGQD-UHFFFAOYSA-N
MW207.41 g/mol
LogP3.81
Rot. Bonds6

About N-propan-2-yl-N-(propyldisulfanyl)propan-2-amine

N-propan-2-yl-N-(propyldisulfanyl)propan-2-amine (PubChem CID 88826745) has the molecular formula C9H21NS2 and a molecular weight of 207.41 g/mol. Its IUPAC name is N-propan-2-yl-N-(propyldisulfanyl)propan-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-(propyldisulfanyl)propan-2-amine
PubChem CID88826745
Molecular FormulaC9H21NS2
Molecular Weight207.41 g/mol
Exact Mass207.11
IUPAC NameN-propan-2-yl-N-(propyldisulfanyl)propan-2-amine
SMILESCCCSSN(C(C)C)C(C)C
InChIInChI=1S/C9H21NS2/c1-6-7-11-12-10(8(2)3)9(4)5/h8-9H,6-7H2,1-5H3
InChIKeyBRMSXBRAIPSGQD-UHFFFAOYSA-N
XLogP3.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.41
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(propyldisulfanyl)propan-2-amine?
The IUPAC name of N-propan-2-yl-N-(propyldisulfanyl)propan-2-amine (CID 88826745) is N-propan-2-yl-N-(propyldisulfanyl)propan-2-amine.
What is the SMILES notation for N-propan-2-yl-N-(propyldisulfanyl)propan-2-amine?
The canonical SMILES for N-propan-2-yl-N-(propyldisulfanyl)propan-2-amine is CCCSSN(C(C)C)C(C)C.
What is the InChIKey of N-propan-2-yl-N-(propyldisulfanyl)propan-2-amine?
The InChIKey is BRMSXBRAIPSGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NS2/c1-6-7-11-12-10(8(2)3)9(4)5/h8-9H,6-7H2,1-5H3.
What are the key properties of N-propan-2-yl-N-(propyldisulfanyl)propan-2-amine?
N-propan-2-yl-N-(propyldisulfanyl)propan-2-amine has a molecular weight of 207.41 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(propyldisulfanyl)propan-2-amine is sourced from PubChem (CID 88826745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).