N-iodo-2-methylundecan-1-amine

C12H26IN — CID 163764943

IUPACN-iodo-2-methylundecan-1-amine
SMILESCCCCCCCCCC(C)CNI
InChIInChI=1S/C12H26IN/c1-3-4-5-6-7-8-9-10-12(2)11-14-13/h12,14H,3-11H2,1-2H3
InChIKeyMBKXPXHICGRCRC-UHFFFAOYSA-N
MW311.25 g/mol
LogP4.70
Rot. Bonds10

About N-iodo-2-methylundecan-1-amine

N-iodo-2-methylundecan-1-amine (PubChem CID 163764943) has the molecular formula C12H26IN and a molecular weight of 311.25 g/mol. Its IUPAC name is N-iodo-2-methylundecan-1-amine.

Molecular Properties

Compound NameN-iodo-2-methylundecan-1-amine
PubChem CID163764943
Molecular FormulaC12H26IN
Molecular Weight311.25 g/mol
Exact Mass311.11
IUPAC NameN-iodo-2-methylundecan-1-amine
SMILESCCCCCCCCCC(C)CNI
InChIInChI=1S/C12H26IN/c1-3-4-5-6-7-8-9-10-12(2)11-14-13/h12,14H,3-11H2,1-2H3
InChIKeyMBKXPXHICGRCRC-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-iodo-2-methylundecan-1-amine?
The IUPAC name of N-iodo-2-methylundecan-1-amine (CID 163764943) is N-iodo-2-methylundecan-1-amine.
What is the SMILES notation for N-iodo-2-methylundecan-1-amine?
The canonical SMILES for N-iodo-2-methylundecan-1-amine is CCCCCCCCCC(C)CNI.
What is the InChIKey of N-iodo-2-methylundecan-1-amine?
The InChIKey is MBKXPXHICGRCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26IN/c1-3-4-5-6-7-8-9-10-12(2)11-14-13/h12,14H,3-11H2,1-2H3.
What are the key properties of N-iodo-2-methylundecan-1-amine?
N-iodo-2-methylundecan-1-amine has a molecular weight of 311.25 g/mol, XLogP of 4.70, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-2-methylundecan-1-amine is sourced from PubChem (CID 163764943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).