cis-(1R,2S)-2-(cyclopropylmethylamino)cyclohexan-1-ol

C10H19NO — CID 58627713

IUPACcis-(1R,2S)-2-(cyclopropylmethylamino)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@@H]1NCC1CC1
InChIInChI=1S/C10H19NO/c12-10-4-2-1-3-9(10)11-7-8-5-6-8/h8-12H,1-7H2/t9-,10+/m0/s1
InChIKeyWYQMFVJQBQVOHF-VHSXEESVSA-N
MW169.27 g/mol
LogP1.29
Rot. Bonds3

About cis-(1R,2S)-2-(cyclopropylmethylamino)cyclohexan-1-ol

cis-(1R,2S)-2-(cyclopropylmethylamino)cyclohexan-1-ol (PubChem CID 58627713) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is cis-(1R,2S)-2-(cyclopropylmethylamino)cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-(cyclopropylmethylamino)cyclohexan-1-ol
PubChem CID58627713
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Namecis-(1R,2S)-2-(cyclopropylmethylamino)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@@H]1NCC1CC1
InChIInChI=1S/C10H19NO/c12-10-4-2-1-3-9(10)11-7-8-5-6-8/h8-12H,1-7H2/t9-,10+/m0/s1
InChIKeyWYQMFVJQBQVOHF-VHSXEESVSA-N
XLogP1.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(cyclopropylmethylamino)cyclohexan-1-ol?
The IUPAC name of cis-(1R,2S)-2-(cyclopropylmethylamino)cyclohexan-1-ol (CID 58627713) is cis-(1R,2S)-2-(cyclopropylmethylamino)cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-(cyclopropylmethylamino)cyclohexan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-(cyclopropylmethylamino)cyclohexan-1-ol is O[C@@H]1CCCC[C@@H]1NCC1CC1.
What is the InChIKey of cis-(1R,2S)-2-(cyclopropylmethylamino)cyclohexan-1-ol?
The InChIKey is WYQMFVJQBQVOHF-VHSXEESVSA-N. The full InChI is InChI=1S/C10H19NO/c12-10-4-2-1-3-9(10)11-7-8-5-6-8/h8-12H,1-7H2/t9-,10+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(cyclopropylmethylamino)cyclohexan-1-ol?
cis-(1R,2S)-2-(cyclopropylmethylamino)cyclohexan-1-ol has a molecular weight of 169.27 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(cyclopropylmethylamino)cyclohexan-1-ol is sourced from PubChem (CID 58627713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).