[(1S)-1-amino-2-ethyl-3-methylcyclopropyl]methanol

C7H15NO — CID 163644760

IUPAC[(1S)-1-amino-2-ethyl-3-methylcyclopropyl]methanol
SMILESCCC1C(C)[C@@]1(N)CO
InChIInChI=1S/C7H15NO/c1-3-6-5(2)7(6,8)4-9/h5-6,9H,3-4,8H2,1-2H3/t5?,6?,7-/m0/s1
InChIKeyIHHRCWCNLNBOFF-AHXFUIDQSA-N
MW129.20 g/mol
LogP0.35
Rot. Bonds2

About [(1S)-1-amino-2-ethyl-3-methylcyclopropyl]methanol

[(1S)-1-amino-2-ethyl-3-methylcyclopropyl]methanol (PubChem CID 163644760) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is [(1S)-1-amino-2-ethyl-3-methylcyclopropyl]methanol.

Molecular Properties

Compound Name[(1S)-1-amino-2-ethyl-3-methylcyclopropyl]methanol
PubChem CID163644760
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name[(1S)-1-amino-2-ethyl-3-methylcyclopropyl]methanol
SMILESCCC1C(C)[C@@]1(N)CO
InChIInChI=1S/C7H15NO/c1-3-6-5(2)7(6,8)4-9/h5-6,9H,3-4,8H2,1-2H3/t5?,6?,7-/m0/s1
InChIKeyIHHRCWCNLNBOFF-AHXFUIDQSA-N
XLogP0.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-amino-2-ethyl-3-methylcyclopropyl]methanol?
The IUPAC name of [(1S)-1-amino-2-ethyl-3-methylcyclopropyl]methanol (CID 163644760) is [(1S)-1-amino-2-ethyl-3-methylcyclopropyl]methanol.
What is the SMILES notation for [(1S)-1-amino-2-ethyl-3-methylcyclopropyl]methanol?
The canonical SMILES for [(1S)-1-amino-2-ethyl-3-methylcyclopropyl]methanol is CCC1C(C)[C@@]1(N)CO.
What is the InChIKey of [(1S)-1-amino-2-ethyl-3-methylcyclopropyl]methanol?
The InChIKey is IHHRCWCNLNBOFF-AHXFUIDQSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-6-5(2)7(6,8)4-9/h5-6,9H,3-4,8H2,1-2H3/t5?,6?,7-/m0/s1.
What are the key properties of [(1S)-1-amino-2-ethyl-3-methylcyclopropyl]methanol?
[(1S)-1-amino-2-ethyl-3-methylcyclopropyl]methanol has a molecular weight of 129.20 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-amino-2-ethyl-3-methylcyclopropyl]methanol is sourced from PubChem (CID 163644760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).