amino-[4-(dimethylamino)cyclohex-2-en-1-yl]methanol

C9H18N2O — CID 143624348

IUPACamino-[4-(dimethylamino)cyclohex-2-en-1-yl]methanol
SMILESCN(C)C1C=CC(C(N)O)CC1
InChIInChI=1S/C9H18N2O/c1-11(2)8-5-3-7(4-6-8)9(10)12/h3,5,7-9,12H,4,6,10H2,1-2H3
InChIKeyFUQNSFJNRYCLHL-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.16
Rot. Bonds2

About amino-[4-(dimethylamino)cyclohex-2-en-1-yl]methanol

amino-[4-(dimethylamino)cyclohex-2-en-1-yl]methanol (PubChem CID 143624348) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is amino-[4-(dimethylamino)cyclohex-2-en-1-yl]methanol.

Molecular Properties

Compound Nameamino-[4-(dimethylamino)cyclohex-2-en-1-yl]methanol
PubChem CID143624348
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Nameamino-[4-(dimethylamino)cyclohex-2-en-1-yl]methanol
SMILESCN(C)C1C=CC(C(N)O)CC1
InChIInChI=1S/C9H18N2O/c1-11(2)8-5-3-7(4-6-8)9(10)12/h3,5,7-9,12H,4,6,10H2,1-2H3
InChIKeyFUQNSFJNRYCLHL-UHFFFAOYSA-N
XLogP0.16
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(dimethylamino)cyclohex-2-en-1-yl]methanol?
The IUPAC name of amino-[4-(dimethylamino)cyclohex-2-en-1-yl]methanol (CID 143624348) is amino-[4-(dimethylamino)cyclohex-2-en-1-yl]methanol.
What is the SMILES notation for amino-[4-(dimethylamino)cyclohex-2-en-1-yl]methanol?
The canonical SMILES for amino-[4-(dimethylamino)cyclohex-2-en-1-yl]methanol is CN(C)C1C=CC(C(N)O)CC1.
What is the InChIKey of amino-[4-(dimethylamino)cyclohex-2-en-1-yl]methanol?
The InChIKey is FUQNSFJNRYCLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-11(2)8-5-3-7(4-6-8)9(10)12/h3,5,7-9,12H,4,6,10H2,1-2H3.
What are the key properties of amino-[4-(dimethylamino)cyclohex-2-en-1-yl]methanol?
amino-[4-(dimethylamino)cyclohex-2-en-1-yl]methanol has a molecular weight of 170.26 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[4-(dimethylamino)cyclohex-2-en-1-yl]methanol is sourced from PubChem (CID 143624348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).