N-(1-hydroxyhexyl)formamide

C7H15NO2 — CID 54387531

IUPACN-(1-hydroxyhexyl)formamide
SMILESCCCCCC(O)NC=O
InChIInChI=1S/C7H15NO2/c1-2-3-4-5-7(10)8-6-9/h6-7,10H,2-5H2,1H3,(H,8,9)
InChIKeyVEHHULREXHXIDI-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.63
Rot. Bonds6

About N-(1-hydroxyhexyl)formamide

N-(1-hydroxyhexyl)formamide (PubChem CID 54387531) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is N-(1-hydroxyhexyl)formamide.

Molecular Properties

Compound NameN-(1-hydroxyhexyl)formamide
PubChem CID54387531
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC NameN-(1-hydroxyhexyl)formamide
SMILESCCCCCC(O)NC=O
InChIInChI=1S/C7H15NO2/c1-2-3-4-5-7(10)8-6-9/h6-7,10H,2-5H2,1H3,(H,8,9)
InChIKeyVEHHULREXHXIDI-UHFFFAOYSA-N
XLogP0.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-octan-2-yl]formamide
CID 5478865
N-nonan-4-ylformamide
CID 144801924
N-(1-hydroxyoctadecan-2-yl)formamide
CID 15354101
(2S)-2-(hydroxyamino)heptanal
CID 143783582
1-(ethylamino)tetradecan-1-ol
CID 88518024
1-(pentylamino)dodecan-1-ol
CID 88518034
1-(hexadecylamino)docosan-1-ol
CID 88518088
1-(1-hydroxyethylamino)hexan-1-ol
CID 57293401
1-(octylamino)dodecan-1-ol
CID 88518081
1-(butylamino)dodecan-1-ol
CID 88517958
1-(butylamino)heptan-1-ol
CID 88518025
1-(propylamino)nonan-1-ol
CID 88518015

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxyhexyl)formamide?
The IUPAC name of N-(1-hydroxyhexyl)formamide (CID 54387531) is N-(1-hydroxyhexyl)formamide.
What is the SMILES notation for N-(1-hydroxyhexyl)formamide?
The canonical SMILES for N-(1-hydroxyhexyl)formamide is CCCCCC(O)NC=O.
What is the InChIKey of N-(1-hydroxyhexyl)formamide?
The InChIKey is VEHHULREXHXIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-2-3-4-5-7(10)8-6-9/h6-7,10H,2-5H2,1H3,(H,8,9).
What are the key properties of N-(1-hydroxyhexyl)formamide?
N-(1-hydroxyhexyl)formamide has a molecular weight of 145.20 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxyhexyl)formamide is sourced from PubChem (CID 54387531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).