2-(iodoamino)hexan-1-ol

C6H14INO — CID 88639223

IUPAC2-(iodoamino)hexan-1-ol
SMILESCCCCC(CO)NI
InChIInChI=1S/C6H14INO/c1-2-3-4-6(5-9)8-7/h6,8-9H,2-5H2,1H3
InChIKeyYKAOGOADCWOETA-UHFFFAOYSA-N
MW243.09 g/mol
LogP1.48
Rot. Bonds5

About 2-(iodoamino)hexan-1-ol

2-(iodoamino)hexan-1-ol (PubChem CID 88639223) has the molecular formula C6H14INO and a molecular weight of 243.09 g/mol. Its IUPAC name is 2-(iodoamino)hexan-1-ol.

Molecular Properties

Compound Name2-(iodoamino)hexan-1-ol
PubChem CID88639223
Molecular FormulaC6H14INO
Molecular Weight243.09 g/mol
Exact Mass243.01
IUPAC Name2-(iodoamino)hexan-1-ol
SMILESCCCCC(CO)NI
InChIInChI=1S/C6H14INO/c1-2-3-4-6(5-9)8-7/h6,8-9H,2-5H2,1H3
InChIKeyYKAOGOADCWOETA-UHFFFAOYSA-N
XLogP1.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.09
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxyhexan-2-yl)formamide
CID 91256811
2-(2,2,2-trifluoroethylamino)hexan-1-ol
CID 61352156
2-(methylamino)hexadecan-1-ol
CID 118696061
2-(ethylamino)nonan-1-ol
CID 61050713
N-nonan-5-ylnonan-5-amine
CID 86205180
(2R)-2-[[(3S)-heptan-3-yl]amino]-4-methylpentan-1-ol
CID 95256865
2-(2-hydroxyethylamino)hexadecan-1-ol
CID 87123579
3-(methylamino)heptan-1-ol
CID 13033821
1-Hexanol, 2-ethyl-, magnesium salt (2:1)
CID 74764164
N-(1,3-dihydroxypropan-2-yl)-2-methylhexanamide
CID 154697432
2-(butan-2-ylamino)undecan-1-ol
CID 114078301
2-(2-hydroxypropylamino)octan-1-ol
CID 86053994

Frequently Asked Questions

What is the IUPAC name of 2-(iodoamino)hexan-1-ol?
The IUPAC name of 2-(iodoamino)hexan-1-ol (CID 88639223) is 2-(iodoamino)hexan-1-ol.
What is the SMILES notation for 2-(iodoamino)hexan-1-ol?
The canonical SMILES for 2-(iodoamino)hexan-1-ol is CCCCC(CO)NI.
What is the InChIKey of 2-(iodoamino)hexan-1-ol?
The InChIKey is YKAOGOADCWOETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14INO/c1-2-3-4-6(5-9)8-7/h6,8-9H,2-5H2,1H3.
What are the key properties of 2-(iodoamino)hexan-1-ol?
2-(iodoamino)hexan-1-ol has a molecular weight of 243.09 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodoamino)hexan-1-ol is sourced from PubChem (CID 88639223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).