(2R)-1-[[(2R)-2-amino-4-methylpentyl]disulfanyl]-4-methylpentan-2-amine

C12H28N2S2 — CID 6101945

IUPAC(2R)-1-[[(2R)-2-amino-4-methylpentyl]disulfanyl]-4-methylpentan-2-amine
SMILESCC(C)C[C@@H](N)CSSC[C@H](N)CC(C)C
InChIInChI=1S/C12H28N2S2/c1-9(2)5-11(13)7-15-16-8-12(14)6-10(3)4/h9-12H,5-8,13-14H2,1-4H3/t11-,12-/m1/s1
InChIKeyIUXBQXVKCIOQKX-VXGBXAGGSA-N
MW264.50 g/mol
LogP3.11
Rot. Bonds9

About (2R)-1-[[(2R)-2-amino-4-methylpentyl]disulfanyl]-4-methylpentan-2-amine

(2R)-1-[[(2R)-2-amino-4-methylpentyl]disulfanyl]-4-methylpentan-2-amine (PubChem CID 6101945) has the molecular formula C12H28N2S2 and a molecular weight of 264.50 g/mol. Its IUPAC name is (2R)-1-[[(2R)-2-amino-4-methylpentyl]disulfanyl]-4-methylpentan-2-amine.

Molecular Properties

Compound Name(2R)-1-[[(2R)-2-amino-4-methylpentyl]disulfanyl]-4-methylpentan-2-amine
PubChem CID6101945
Molecular FormulaC12H28N2S2
Molecular Weight264.50 g/mol
Exact Mass264.17
IUPAC Name(2R)-1-[[(2R)-2-amino-4-methylpentyl]disulfanyl]-4-methylpentan-2-amine
SMILESCC(C)C[C@@H](N)CSSC[C@H](N)CC(C)C
InChIInChI=1S/C12H28N2S2/c1-9(2)5-11(13)7-15-16-8-12(14)6-10(3)4/h9-12H,5-8,13-14H2,1-4H3/t11-,12-/m1/s1
InChIKeyIUXBQXVKCIOQKX-VXGBXAGGSA-N
XLogP3.11
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.50
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-1-[[(2R)-2-amino-4-methylpentyl]disulfanyl]-4-methylpentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(2R)-2-amino-4-methylpentyl]disulfanyl]-4-methylpentan-2-amine?
The IUPAC name of (2R)-1-[[(2R)-2-amino-4-methylpentyl]disulfanyl]-4-methylpentan-2-amine (CID 6101945) is (2R)-1-[[(2R)-2-amino-4-methylpentyl]disulfanyl]-4-methylpentan-2-amine.
What is the SMILES notation for (2R)-1-[[(2R)-2-amino-4-methylpentyl]disulfanyl]-4-methylpentan-2-amine?
The canonical SMILES for (2R)-1-[[(2R)-2-amino-4-methylpentyl]disulfanyl]-4-methylpentan-2-amine is CC(C)C[C@@H](N)CSSC[C@H](N)CC(C)C.
What is the InChIKey of (2R)-1-[[(2R)-2-amino-4-methylpentyl]disulfanyl]-4-methylpentan-2-amine?
The InChIKey is IUXBQXVKCIOQKX-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H28N2S2/c1-9(2)5-11(13)7-15-16-8-12(14)6-10(3)4/h9-12H,5-8,13-14H2,1-4H3/t11-,12-/m1/s1.
What are the key properties of (2R)-1-[[(2R)-2-amino-4-methylpentyl]disulfanyl]-4-methylpentan-2-amine?
(2R)-1-[[(2R)-2-amino-4-methylpentyl]disulfanyl]-4-methylpentan-2-amine has a molecular weight of 264.50 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(2R)-2-amino-4-methylpentyl]disulfanyl]-4-methylpentan-2-amine is sourced from PubChem (CID 6101945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).