ethane;hydroxylamine;molecular hydrogen;[(1S,2S)-2-propan-2-ylcyclopropyl]methanol

C9H25NO2 — CID 177330552

IUPACethane;hydroxylamine;molecular hydrogen;[(1S,2S)-2-propan-2-ylcyclopropyl]methanol
SMILESCC.CC(C)[C@@H]1C[C@@H]1CO.NO.[H][H]
InChIInChI=1S/C7H14O.C2H6.H3NO.H2/c1-5(2)7-3-6(7)4-8;2*1-2;/h5-8H,3-4H2,1-2H3;1-2H3;2H,1H2;1H/t6-,7+;;;/m1.../s1
InChIKeyDCYGJQCWYZYCLA-YEIXYONGSA-N
MW179.30 g/mol
LogP1.88
Rot. Bonds2

About ethane;hydroxylamine;molecular hydrogen;[(1S,2S)-2-propan-2-ylcyclopropyl]methanol

ethane;hydroxylamine;molecular hydrogen;[(1S,2S)-2-propan-2-ylcyclopropyl]methanol (PubChem CID 177330552) has the molecular formula C9H25NO2 and a molecular weight of 179.30 g/mol. Its IUPAC name is ethane;hydroxylamine;molecular hydrogen;[(1S,2S)-2-propan-2-ylcyclopropyl]methanol.

Molecular Properties

Compound Nameethane;hydroxylamine;molecular hydrogen;[(1S,2S)-2-propan-2-ylcyclopropyl]methanol
PubChem CID177330552
Molecular FormulaC9H25NO2
Molecular Weight179.30 g/mol
Exact Mass179.19
IUPAC Nameethane;hydroxylamine;molecular hydrogen;[(1S,2S)-2-propan-2-ylcyclopropyl]methanol
SMILESCC.CC(C)[C@@H]1C[C@@H]1CO.NO.[H][H]
InChIInChI=1S/C7H14O.C2H6.H3NO.H2/c1-5(2)7-3-6(7)4-8;2*1-2;/h5-8H,3-4H2,1-2H3;1-2H3;2H,1H2;1H/t6-,7+;;;/m1.../s1
InChIKeyDCYGJQCWYZYCLA-YEIXYONGSA-N
XLogP1.88
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.30
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]methanol
CID 14166067
2-methyl-N-[[(1S,2S)-2-propan-2-ylcyclopropyl]methyl]propanamide;molecular hydrogen
CID 177329792
carbon dioxide;1-ethyl-2-propan-2-ylcyclopropane
CID 158990668
4-(hydroxymethyl)-6-[(2,3,4-trihydroxy-5-propan-2-ylcyclohexyl)methoxy]cyclohexane-1,2,3-triol
CID 161359179
(3S)-3-amino-6-(hydroxymethyl)-5-propan-2-yloxan-2-ol;(3S)-6-(hydroxymethyl)-3-methyl-5-propan-2-yloxan-2-ol
CID 172578941
[(2S)-2-iodocyclopropyl]methanol
CID 122684903
1-(methylsulfonylmethyl)-2-propan-2-ylcyclopropane
CID 122414284
1,2-diethyl-4-methyl-5-propan-2-ylcyclohexane;ethane
CID 142876952
1-(4-methylpentyl)-2-propan-2-ylcyclopropane
CID 90741297
[(2S)-2-(hydroxymethyl)cyclopropyl]methanol
CID 67842260
(1R,4R,5S)-4-(dimethoxymethyl)-5-(hydroxymethyl)cyclohexane-1,2-diol
CID 156856968
1-propan-2-yl-2-(2-propan-2-yloxyethyl)cyclopropane
CID 155609255

Frequently Asked Questions

What is the IUPAC name of ethane;hydroxylamine;molecular hydrogen;[(1S,2S)-2-propan-2-ylcyclopropyl]methanol?
The IUPAC name of ethane;hydroxylamine;molecular hydrogen;[(1S,2S)-2-propan-2-ylcyclopropyl]methanol (CID 177330552) is ethane;hydroxylamine;molecular hydrogen;[(1S,2S)-2-propan-2-ylcyclopropyl]methanol.
What is the SMILES notation for ethane;hydroxylamine;molecular hydrogen;[(1S,2S)-2-propan-2-ylcyclopropyl]methanol?
The canonical SMILES for ethane;hydroxylamine;molecular hydrogen;[(1S,2S)-2-propan-2-ylcyclopropyl]methanol is CC.CC(C)[C@@H]1C[C@@H]1CO.NO.[H][H].
What is the InChIKey of ethane;hydroxylamine;molecular hydrogen;[(1S,2S)-2-propan-2-ylcyclopropyl]methanol?
The InChIKey is DCYGJQCWYZYCLA-YEIXYONGSA-N. The full InChI is InChI=1S/C7H14O.C2H6.H3NO.H2/c1-5(2)7-3-6(7)4-8;2*1-2;/h5-8H,3-4H2,1-2H3;1-2H3;2H,1H2;1H/t6-,7+;;;/m1.../s1.
What are the key properties of ethane;hydroxylamine;molecular hydrogen;[(1S,2S)-2-propan-2-ylcyclopropyl]methanol?
ethane;hydroxylamine;molecular hydrogen;[(1S,2S)-2-propan-2-ylcyclopropyl]methanol has a molecular weight of 179.30 g/mol, XLogP of 1.88, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;hydroxylamine;molecular hydrogen;[(1S,2S)-2-propan-2-ylcyclopropyl]methanol is sourced from PubChem (CID 177330552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).