(1R)-1,11-diiodoundecan-1-amine

C11H23I2N — CID 138602869

IUPAC(1R)-1,11-diiodoundecan-1-amine
SMILESN[C@H](I)CCCCCCCCCCI
InChIInChI=1S/C11H23I2N/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h11H,1-10,14H2/t11-/m0/s1
InChIKeyFLMMHZKRHZFPHO-NSHDSACASA-N
MW423.12 g/mol
LogP4.65
Rot. Bonds10

About (1R)-1,11-diiodoundecan-1-amine

(1R)-1,11-diiodoundecan-1-amine (PubChem CID 138602869) has the molecular formula C11H23I2N and a molecular weight of 423.12 g/mol. Its IUPAC name is (1R)-1,11-diiodoundecan-1-amine.

Molecular Properties

Compound Name(1R)-1,11-diiodoundecan-1-amine
PubChem CID138602869
Molecular FormulaC11H23I2N
Molecular Weight423.12 g/mol
Exact Mass422.99
IUPAC Name(1R)-1,11-diiodoundecan-1-amine
SMILESN[C@H](I)CCCCCCCCCCI
InChIInChI=1S/C11H23I2N/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h11H,1-10,14H2/t11-/m0/s1
InChIKeyFLMMHZKRHZFPHO-NSHDSACASA-N
XLogP4.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.12
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-iododecane-1,10-diamine
CID 175279846
1-iodoundecan-1-amine
CID 19076849
1,8-diiodononane
CID 168864675
1,2,11-triiodoundecane
CID 19808234
1,7-diiodooctane
CID 168864689
1,11-diiodoundecane
CID 4060847
2-amino-8-iodooctanoic acid
CID 86114195
1-iodo-21-methyldocosane
CID 140840720
3,9-diiodonon-1-ene-1,1,2-triol
CID 118276205
(2S)-8-iodooctan-2-ol
CID 139766789
7-(4-iodobutyl)tridecane
CID 155905887
3,4,9-triiodonon-1-ene-1,1-diol
CID 118275824

Frequently Asked Questions

What is the IUPAC name of (1R)-1,11-diiodoundecan-1-amine?
The IUPAC name of (1R)-1,11-diiodoundecan-1-amine (CID 138602869) is (1R)-1,11-diiodoundecan-1-amine.
What is the SMILES notation for (1R)-1,11-diiodoundecan-1-amine?
The canonical SMILES for (1R)-1,11-diiodoundecan-1-amine is N[C@H](I)CCCCCCCCCCI.
What is the InChIKey of (1R)-1,11-diiodoundecan-1-amine?
The InChIKey is FLMMHZKRHZFPHO-NSHDSACASA-N. The full InChI is InChI=1S/C11H23I2N/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h11H,1-10,14H2/t11-/m0/s1.
What are the key properties of (1R)-1,11-diiodoundecan-1-amine?
(1R)-1,11-diiodoundecan-1-amine has a molecular weight of 423.12 g/mol, XLogP of 4.65, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1,11-diiodoundecan-1-amine is sourced from PubChem (CID 138602869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).