(4R)-2-amino-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol

C10H19NO — CID 131142748

IUPAC(4R)-2-amino-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)[C@@H]1CCC(C)(O)C(N)C1
InChIInChI=1S/C10H19NO/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8-9,12H,1,4-6,11H2,2-3H3/t8-,9?,10?/m1/s1
InChIKeyYMIYPQKJCIGSLG-XNWIYYODSA-N
MW169.27 g/mol
LogP1.44
Rot. Bonds1

About (4R)-2-amino-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol

(4R)-2-amino-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol (PubChem CID 131142748) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (4R)-2-amino-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(4R)-2-amino-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol
PubChem CID131142748
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(4R)-2-amino-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)[C@@H]1CCC(C)(O)C(N)C1
InChIInChI=1S/C10H19NO/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8-9,12H,1,4-6,11H2,2-3H3/t8-,9?,10?/m1/s1
InChIKeyYMIYPQKJCIGSLG-XNWIYYODSA-N
XLogP1.44
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol?
The IUPAC name of (4R)-2-amino-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol (CID 131142748) is (4R)-2-amino-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol.
What is the SMILES notation for (4R)-2-amino-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol?
The canonical SMILES for (4R)-2-amino-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol is C=C(C)[C@@H]1CCC(C)(O)C(N)C1.
What is the InChIKey of (4R)-2-amino-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol?
The InChIKey is YMIYPQKJCIGSLG-XNWIYYODSA-N. The full InChI is InChI=1S/C10H19NO/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8-9,12H,1,4-6,11H2,2-3H3/t8-,9?,10?/m1/s1.
What are the key properties of (4R)-2-amino-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol?
(4R)-2-amino-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol has a molecular weight of 169.27 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol is sourced from PubChem (CID 131142748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).