N-(3-hydroxyhexyl)formamide

C7H15NO2 — CID 54084231

IUPACN-(3-hydroxyhexyl)formamide
SMILESCCCC(O)CCNC=O
InChIInChI=1S/C7H15NO2/c1-2-3-7(10)4-5-8-6-9/h6-7,10H,2-5H2,1H3,(H,8,9)
InChIKeyDYZZZZMAGRHIKE-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.28
Rot. Bonds6

About N-(3-hydroxyhexyl)formamide

N-(3-hydroxyhexyl)formamide (PubChem CID 54084231) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is N-(3-hydroxyhexyl)formamide.

Molecular Properties

Compound NameN-(3-hydroxyhexyl)formamide
PubChem CID54084231
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC NameN-(3-hydroxyhexyl)formamide
SMILESCCCC(O)CCNC=O
InChIInChI=1S/C7H15NO2/c1-2-3-7(10)4-5-8-6-9/h6-7,10H,2-5H2,1H3,(H,8,9)
InChIKeyDYZZZZMAGRHIKE-UHFFFAOYSA-N
XLogP0.28
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 ≤ 50.28
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'}

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Related Compounds

1-(3-hydroxyhexylamino)hexan-3-ol
CID 19936302
N-(3-hydroxy-4-methoxybutyl)formamide
CID 106243326
ethane;N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide
CID 153396785
N-[2-[(1S)-1-hydroxybutoxy]ethyl]formamide
CID 118214490
5-hydroxyoctanal
CID 54248840
ethane;N-[3-(methylamino)hexyl]formamide
CID 142947106
N-[(Z)-4-hydroxydocos-13-enyl]formamide
CID 155296496
4-formamido-2-(1-hydroxyhexylamino)butanoic acid
CID 90975328
4-formamido-2-(pentanoylamino)butanoic acid
CID 57320299
butane;N-(3-methylheptyl)formamide;phosphoric acid
CID 175488083
(4R,8R)-undecane-4,8-diol
CID 101372142
ethane;N-pentylformamide
CID 145350301

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyhexyl)formamide?
The IUPAC name of N-(3-hydroxyhexyl)formamide (CID 54084231) is N-(3-hydroxyhexyl)formamide.
What is the SMILES notation for N-(3-hydroxyhexyl)formamide?
The canonical SMILES for N-(3-hydroxyhexyl)formamide is CCCC(O)CCNC=O.
What is the InChIKey of N-(3-hydroxyhexyl)formamide?
The InChIKey is DYZZZZMAGRHIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-2-3-7(10)4-5-8-6-9/h6-7,10H,2-5H2,1H3,(H,8,9).
What are the key properties of N-(3-hydroxyhexyl)formamide?
N-(3-hydroxyhexyl)formamide has a molecular weight of 145.20 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyhexyl)formamide is sourced from PubChem (CID 54084231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).