amino-(1,4-dimethylcyclohexa-2,4-dien-1-yl)methanol

C9H15NO — CID 70392095

IUPACamino-(1,4-dimethylcyclohexa-2,4-dien-1-yl)methanol
SMILESCC1=CCC(C)(C(N)O)C=C1
InChIInChI=1S/C9H15NO/c1-7-3-5-9(2,6-4-7)8(10)11/h3-5,8,11H,6,10H2,1-2H3
InChIKeyHVZZYYAOEIVLQX-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.18
Rot. Bonds1

About amino-(1,4-dimethylcyclohexa-2,4-dien-1-yl)methanol

amino-(1,4-dimethylcyclohexa-2,4-dien-1-yl)methanol (PubChem CID 70392095) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is amino-(1,4-dimethylcyclohexa-2,4-dien-1-yl)methanol.

Molecular Properties

Compound Nameamino-(1,4-dimethylcyclohexa-2,4-dien-1-yl)methanol
PubChem CID70392095
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Nameamino-(1,4-dimethylcyclohexa-2,4-dien-1-yl)methanol
SMILESCC1=CCC(C)(C(N)O)C=C1
InChIInChI=1S/C9H15NO/c1-7-3-5-9(2,6-4-7)8(10)11/h3-5,8,11H,6,10H2,1-2H3
InChIKeyHVZZYYAOEIVLQX-UHFFFAOYSA-N
XLogP1.18
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of amino-(1,4-dimethylcyclohexa-2,4-dien-1-yl)methanol?
The IUPAC name of amino-(1,4-dimethylcyclohexa-2,4-dien-1-yl)methanol (CID 70392095) is amino-(1,4-dimethylcyclohexa-2,4-dien-1-yl)methanol.
What is the SMILES notation for amino-(1,4-dimethylcyclohexa-2,4-dien-1-yl)methanol?
The canonical SMILES for amino-(1,4-dimethylcyclohexa-2,4-dien-1-yl)methanol is CC1=CCC(C)(C(N)O)C=C1.
What is the InChIKey of amino-(1,4-dimethylcyclohexa-2,4-dien-1-yl)methanol?
The InChIKey is HVZZYYAOEIVLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7-3-5-9(2,6-4-7)8(10)11/h3-5,8,11H,6,10H2,1-2H3.
What are the key properties of amino-(1,4-dimethylcyclohexa-2,4-dien-1-yl)methanol?
amino-(1,4-dimethylcyclohexa-2,4-dien-1-yl)methanol has a molecular weight of 153.22 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(1,4-dimethylcyclohexa-2,4-dien-1-yl)methanol is sourced from PubChem (CID 70392095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).