1-iodoundecan-1-amine

C11H24IN — CID 19076849

IUPAC1-iodoundecan-1-amine
SMILESCCCCCCCCCCC(N)I
InChIInChI=1S/C11H24IN/c1-2-3-4-5-6-7-8-9-10-11(12)13/h11H,2-10,13H2,1H3
InChIKeyRFQCSEVVDLAACQ-UHFFFAOYSA-N
MW297.22 g/mol
LogP4.24
Rot. Bonds9

About 1-iodoundecan-1-amine

1-iodoundecan-1-amine (PubChem CID 19076849) has the molecular formula C11H24IN and a molecular weight of 297.22 g/mol. Its IUPAC name is 1-iodoundecan-1-amine.

Molecular Properties

Compound Name1-iodoundecan-1-amine
PubChem CID19076849
Molecular FormulaC11H24IN
Molecular Weight297.22 g/mol
Exact Mass297.10
IUPAC Name1-iodoundecan-1-amine
SMILESCCCCCCCCCCC(N)I
InChIInChI=1S/C11H24IN/c1-2-3-4-5-6-7-8-9-10-11(12)13/h11H,2-10,13H2,1H3
InChIKeyRFQCSEVVDLAACQ-UHFFFAOYSA-N
XLogP4.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 54.24
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

pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
6-iodododecane
CID 19090932
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CID 170909168
hexadecane-6,7-diamine
CID 57245820
tritriacontane-16,17-diamine
CID 57106039
7-iodotetradecane
CID 87229248
hexacosane-1,1-diamine
CID 137375175
hexatriacontane-18,19-diamine
CID 57054547
hexatriacontane-1,1-diamine
CID 21495844
octadecan-9-amine;hydrochloride
CID 19002510
(2S)-tetradecan-2-amine
CID 25021238

Frequently Asked Questions

What is the IUPAC name of 1-iodoundecan-1-amine?
The IUPAC name of 1-iodoundecan-1-amine (CID 19076849) is 1-iodoundecan-1-amine.
What is the SMILES notation for 1-iodoundecan-1-amine?
The canonical SMILES for 1-iodoundecan-1-amine is CCCCCCCCCCC(N)I.
What is the InChIKey of 1-iodoundecan-1-amine?
The InChIKey is RFQCSEVVDLAACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24IN/c1-2-3-4-5-6-7-8-9-10-11(12)13/h11H,2-10,13H2,1H3.
What are the key properties of 1-iodoundecan-1-amine?
1-iodoundecan-1-amine has a molecular weight of 297.22 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodoundecan-1-amine is sourced from PubChem (CID 19076849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).