1-iodohexan-3-amine

C6H14IN — CID 126638870

IUPAC1-iodohexan-3-amine
SMILESCCCC(N)CCI
InChIInChI=1S/C6H14IN/c1-2-3-6(8)4-5-7/h6H,2-5,8H2,1H3
InChIKeyBJABAIFEQAEKNM-UHFFFAOYSA-N
MW227.09 g/mol
LogP1.94
Rot. Bonds4

About 1-iodohexan-3-amine

1-iodohexan-3-amine (PubChem CID 126638870) has the molecular formula C6H14IN and a molecular weight of 227.09 g/mol. Its IUPAC name is 1-iodohexan-3-amine.

Molecular Properties

Compound Name1-iodohexan-3-amine
PubChem CID126638870
Molecular FormulaC6H14IN
Molecular Weight227.09 g/mol
Exact Mass227.02
IUPAC Name1-iodohexan-3-amine
SMILESCCCC(N)CCI
InChIInChI=1S/C6H14IN/c1-2-3-6(8)4-5-7/h6H,2-5,8H2,1H3
InChIKeyBJABAIFEQAEKNM-UHFFFAOYSA-N
XLogP1.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.09
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

azane;heptan-4-amine
CID 118430725
(4R)-tridecan-4-amine
CID 150614684
(3S)-1-iodo-5,5-dimethyloctan-3-amine
CID 134254412
ethane;hexan-3-amine
CID 143616305
heptane-1,4-diamine
CID 18547393
decan-4-amine;hydrochloride
CID 87728109
tetradecane-3,11-diamine
CID 170279817
nonan-4-amine;hydrochloride
CID 86176929
heptadecan-4-amine;hydrochloride
CID 173248342
(4R)-1,1,1-trifluoroheptan-4-amine
CID 104932458
(3S)-3-aminohexan-1-ol;sulfane;hydrochloride
CID 161031770
tridecane-1,4,7,10-tetramine
CID 175128174

Frequently Asked Questions

What is the IUPAC name of 1-iodohexan-3-amine?
The IUPAC name of 1-iodohexan-3-amine (CID 126638870) is 1-iodohexan-3-amine.
What is the SMILES notation for 1-iodohexan-3-amine?
The canonical SMILES for 1-iodohexan-3-amine is CCCC(N)CCI.
What is the InChIKey of 1-iodohexan-3-amine?
The InChIKey is BJABAIFEQAEKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14IN/c1-2-3-6(8)4-5-7/h6H,2-5,8H2,1H3.
What are the key properties of 1-iodohexan-3-amine?
1-iodohexan-3-amine has a molecular weight of 227.09 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodohexan-3-amine is sourced from PubChem (CID 126638870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).