2-N,4-N-dimethyl-4-N-pyrrolidin-1-ylsulfanylpentane-2,4-diamine

C11H25N3S — CID 130267718

IUPAC2-N,4-N-dimethyl-4-N-pyrrolidin-1-ylsulfanylpentane-2,4-diamine
SMILESCNC(C)CC(C)N(C)SN1CCCC1
InChIInChI=1S/C11H25N3S/c1-10(12-3)9-11(2)13(4)15-14-7-5-6-8-14/h10-12H,5-9H2,1-4H3
InChIKeyIAJITQHHVXFVQJ-UHFFFAOYSA-N
MW231.41 g/mol
LogP1.96
Rot. Bonds6

About 2-N,4-N-dimethyl-4-N-pyrrolidin-1-ylsulfanylpentane-2,4-diamine

2-N,4-N-dimethyl-4-N-pyrrolidin-1-ylsulfanylpentane-2,4-diamine (PubChem CID 130267718) has the molecular formula C11H25N3S and a molecular weight of 231.41 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-4-N-pyrrolidin-1-ylsulfanylpentane-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-4-N-pyrrolidin-1-ylsulfanylpentane-2,4-diamine
PubChem CID130267718
Molecular FormulaC11H25N3S
Molecular Weight231.41 g/mol
Exact Mass231.18
IUPAC Name2-N,4-N-dimethyl-4-N-pyrrolidin-1-ylsulfanylpentane-2,4-diamine
SMILESCNC(C)CC(C)N(C)SN1CCCC1
InChIInChI=1S/C11H25N3S/c1-10(12-3)9-11(2)13(4)15-14-7-5-6-8-14/h10-12H,5-9H2,1-4H3
InChIKeyIAJITQHHVXFVQJ-UHFFFAOYSA-N
XLogP1.96
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-4-N-pyrrolidin-1-ylsulfanylpentane-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethyl-4-N-pyrrolidin-1-ylsulfanylpentane-2,4-diamine (CID 130267718) is 2-N,4-N-dimethyl-4-N-pyrrolidin-1-ylsulfanylpentane-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethyl-4-N-pyrrolidin-1-ylsulfanylpentane-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethyl-4-N-pyrrolidin-1-ylsulfanylpentane-2,4-diamine is CNC(C)CC(C)N(C)SN1CCCC1.
What is the InChIKey of 2-N,4-N-dimethyl-4-N-pyrrolidin-1-ylsulfanylpentane-2,4-diamine?
The InChIKey is IAJITQHHVXFVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3S/c1-10(12-3)9-11(2)13(4)15-14-7-5-6-8-14/h10-12H,5-9H2,1-4H3.
What are the key properties of 2-N,4-N-dimethyl-4-N-pyrrolidin-1-ylsulfanylpentane-2,4-diamine?
2-N,4-N-dimethyl-4-N-pyrrolidin-1-ylsulfanylpentane-2,4-diamine has a molecular weight of 231.41 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-4-N-pyrrolidin-1-ylsulfanylpentane-2,4-diamine is sourced from PubChem (CID 130267718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).