amino-(3-ethylcyclohexen-1-yl)methanol

C9H17NO — CID 88980846

IUPACamino-(3-ethylcyclohexen-1-yl)methanol
SMILESCCC1C=C(C(N)O)CCC1
InChIInChI=1S/C9H17NO/c1-2-7-4-3-5-8(6-7)9(10)11/h6-7,9,11H,2-5,10H2,1H3
InChIKeyACMOOVNWDKBMNE-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.40
Rot. Bonds2

About amino-(3-ethylcyclohexen-1-yl)methanol

amino-(3-ethylcyclohexen-1-yl)methanol (PubChem CID 88980846) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is amino-(3-ethylcyclohexen-1-yl)methanol.

Molecular Properties

Compound Nameamino-(3-ethylcyclohexen-1-yl)methanol
PubChem CID88980846
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Nameamino-(3-ethylcyclohexen-1-yl)methanol
SMILESCCC1C=C(C(N)O)CCC1
InChIInChI=1S/C9H17NO/c1-2-7-4-3-5-8(6-7)9(10)11/h6-7,9,11H,2-5,10H2,1H3
InChIKeyACMOOVNWDKBMNE-UHFFFAOYSA-N
XLogP1.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.40
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-(3-ethylcyclohexen-1-yl)methanol?
The IUPAC name of amino-(3-ethylcyclohexen-1-yl)methanol (CID 88980846) is amino-(3-ethylcyclohexen-1-yl)methanol.
What is the SMILES notation for amino-(3-ethylcyclohexen-1-yl)methanol?
The canonical SMILES for amino-(3-ethylcyclohexen-1-yl)methanol is CCC1C=C(C(N)O)CCC1.
What is the InChIKey of amino-(3-ethylcyclohexen-1-yl)methanol?
The InChIKey is ACMOOVNWDKBMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-7-4-3-5-8(6-7)9(10)11/h6-7,9,11H,2-5,10H2,1H3.
What are the key properties of amino-(3-ethylcyclohexen-1-yl)methanol?
amino-(3-ethylcyclohexen-1-yl)methanol has a molecular weight of 155.24 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(3-ethylcyclohexen-1-yl)methanol is sourced from PubChem (CID 88980846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).