heptan-2-ol;hydroxylamine

C7H19NO2 — CID 88625997

IUPACheptan-2-ol;hydroxylamine
SMILESCCCCCC(C)O.NO
InChIInChI=1S/C7H16O.H3NO/c1-3-4-5-6-7(2)8;1-2/h7-8H,3-6H2,1-2H3;2H,1H2
InChIKeySBFVGGQBHBTCPI-UHFFFAOYSA-N
MW149.23 g/mol
LogP1.28
Rot. Bonds4

About heptan-2-ol;hydroxylamine

heptan-2-ol;hydroxylamine (PubChem CID 88625997) has the molecular formula C7H19NO2 and a molecular weight of 149.23 g/mol. Its IUPAC name is heptan-2-ol;hydroxylamine.

Molecular Properties

Compound Nameheptan-2-ol;hydroxylamine
PubChem CID88625997
Molecular FormulaC7H19NO2
Molecular Weight149.23 g/mol
Exact Mass149.14
IUPAC Nameheptan-2-ol;hydroxylamine
SMILESCCCCCC(C)O.NO
InChIInChI=1S/C7H16O.H3NO/c1-3-4-5-6-7(2)8;1-2/h7-8H,3-6H2,1-2H3;2H,1H2
InChIKeySBFVGGQBHBTCPI-UHFFFAOYSA-N
XLogP1.28
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.23
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-heptan-2-ol
CID 6992611
(2S)-octadecan-2-ol
CID 25022019
docosan-2-ol
CID 14151025
(2S)-heptan-2-ol;hydrochloride
CID 141119609
octan-2-ol
CID 20083
heptane;heptan-2-ol
CID 157400640
henicosan-2-ol
CID 14151023
methanamine;octadecan-2-ol;hydrochloride
CID 173318083
octan-2-ol;vanadium
CID 175998662
azane;tetradecan-2-ol
CID 172733454
sodium;hydride;nonan-2-ol
CID 174316439
sodium;dodecan-2-ol;hydride
CID 174187549

Frequently Asked Questions

What is the IUPAC name of heptan-2-ol;hydroxylamine?
The IUPAC name of heptan-2-ol;hydroxylamine (CID 88625997) is heptan-2-ol;hydroxylamine.
What is the SMILES notation for heptan-2-ol;hydroxylamine?
The canonical SMILES for heptan-2-ol;hydroxylamine is CCCCCC(C)O.NO.
What is the InChIKey of heptan-2-ol;hydroxylamine?
The InChIKey is SBFVGGQBHBTCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O.H3NO/c1-3-4-5-6-7(2)8;1-2/h7-8H,3-6H2,1-2H3;2H,1H2.
What are the key properties of heptan-2-ol;hydroxylamine?
heptan-2-ol;hydroxylamine has a molecular weight of 149.23 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for heptan-2-ol;hydroxylamine is sourced from PubChem (CID 88625997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).