amino-(4-methylcyclohex-3-en-1-yl)methanol

C8H15NO — CID 155085510

IUPACamino-(4-methylcyclohex-3-en-1-yl)methanol
SMILESCC1=CCC(C(N)O)CC1
InChIInChI=1S/C8H15NO/c1-6-2-4-7(5-3-6)8(9)10/h2,7-8,10H,3-5,9H2,1H3
InChIKeyDUKCEVNLKPHBBC-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.01
Rot. Bonds1

About amino-(4-methylcyclohex-3-en-1-yl)methanol

amino-(4-methylcyclohex-3-en-1-yl)methanol (PubChem CID 155085510) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is amino-(4-methylcyclohex-3-en-1-yl)methanol.

Molecular Properties

Compound Nameamino-(4-methylcyclohex-3-en-1-yl)methanol
PubChem CID155085510
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Nameamino-(4-methylcyclohex-3-en-1-yl)methanol
SMILESCC1=CCC(C(N)O)CC1
InChIInChI=1S/C8H15NO/c1-6-2-4-7(5-3-6)8(9)10/h2,7-8,10H,3-5,9H2,1H3
InChIKeyDUKCEVNLKPHBBC-UHFFFAOYSA-N
XLogP1.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino-(4-methylcyclohex-3-en-1-yl)methanol?
The IUPAC name of amino-(4-methylcyclohex-3-en-1-yl)methanol (CID 155085510) is amino-(4-methylcyclohex-3-en-1-yl)methanol.
What is the SMILES notation for amino-(4-methylcyclohex-3-en-1-yl)methanol?
The canonical SMILES for amino-(4-methylcyclohex-3-en-1-yl)methanol is CC1=CCC(C(N)O)CC1.
What is the InChIKey of amino-(4-methylcyclohex-3-en-1-yl)methanol?
The InChIKey is DUKCEVNLKPHBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6-2-4-7(5-3-6)8(9)10/h2,7-8,10H,3-5,9H2,1H3.
What are the key properties of amino-(4-methylcyclohex-3-en-1-yl)methanol?
amino-(4-methylcyclohex-3-en-1-yl)methanol has a molecular weight of 141.21 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(4-methylcyclohex-3-en-1-yl)methanol is sourced from PubChem (CID 155085510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).