amino-(2-ethylcyclohex-2-en-1-yl)methanol

C9H17NO — CID 123580347

IUPACamino-(2-ethylcyclohex-2-en-1-yl)methanol
SMILESCCC1=CCCCC1C(N)O
InChIInChI=1S/C9H17NO/c1-2-7-5-3-4-6-8(7)9(10)11/h5,8-9,11H,2-4,6,10H2,1H3
InChIKeyRFMDTCKIQLFWOR-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.40
Rot. Bonds2

About amino-(2-ethylcyclohex-2-en-1-yl)methanol

amino-(2-ethylcyclohex-2-en-1-yl)methanol (PubChem CID 123580347) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is amino-(2-ethylcyclohex-2-en-1-yl)methanol.

Molecular Properties

Compound Nameamino-(2-ethylcyclohex-2-en-1-yl)methanol
PubChem CID123580347
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Nameamino-(2-ethylcyclohex-2-en-1-yl)methanol
SMILESCCC1=CCCCC1C(N)O
InChIInChI=1S/C9H17NO/c1-2-7-5-3-4-6-8(7)9(10)11/h5,8-9,11H,2-4,6,10H2,1H3
InChIKeyRFMDTCKIQLFWOR-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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Related Compounds

(4R,5R,E)-1-amino-4-ethyl-8-methyldec-8-en-5-ol
CID 163319732
1-Amino-5-cyclohex-2-en-1-yl-4,6-dimethylheptan-1-ol
CID 67554809
(Z)-1-amino-5-cyclohex-2-en-1-yl-4,6-dimethyloct-6-en-1-ol
CID 67554986
6-(3-Amino-2-methylpropyl)cyclohex-3-en-1-ol
CID 68186766
1-Amino-3-cyclohexa-2,4-dien-1-ylpropan-1-ol
CID 68241255
3-Amino-3-cyclohex-2-en-1-ylpropan-1-ol
CID 68852884
Amino-(4-cyclohex-2-en-1-ylcyclohex-2-en-1-yl)methanol
CID 71133574
(Z)-1-amino-2-[(Z)-octadec-9-enyl]icos-11-en-1-ol
CID 88006924
(4Z)-1-amino-4-(3-methylcyclohexa-1,5-dien-1-yl)hepta-4,6-dien-1-ol
CID 88903986
Amino-(3-ethylcyclohexen-1-yl)methanol
CID 88980846
1-(4-Amino-3-methylcyclohex-2-en-1-yl)butan-1-ol
CID 89153953
3-(4-Aminocyclohex-2-en-1-yl)propan-1-ol
CID 89195778

Frequently Asked Questions

What is the IUPAC name of amino-(2-ethylcyclohex-2-en-1-yl)methanol?
The IUPAC name of amino-(2-ethylcyclohex-2-en-1-yl)methanol (CID 123580347) is amino-(2-ethylcyclohex-2-en-1-yl)methanol.
What is the SMILES notation for amino-(2-ethylcyclohex-2-en-1-yl)methanol?
The canonical SMILES for amino-(2-ethylcyclohex-2-en-1-yl)methanol is CCC1=CCCCC1C(N)O.
What is the InChIKey of amino-(2-ethylcyclohex-2-en-1-yl)methanol?
The InChIKey is RFMDTCKIQLFWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-7-5-3-4-6-8(7)9(10)11/h5,8-9,11H,2-4,6,10H2,1H3.
What are the key properties of amino-(2-ethylcyclohex-2-en-1-yl)methanol?
amino-(2-ethylcyclohex-2-en-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-(2-ethylcyclohex-2-en-1-yl)methanol is sourced from PubChem (CID 123580347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).