[(4-butylcyclohexa-1,5-dien-1-yl)amino]methanol

C11H19NO — CID 148871034

IUPAC[(4-butylcyclohexa-1,5-dien-1-yl)amino]methanol
SMILESCCCCC1C=CC(NCO)=CC1
InChIInChI=1S/C11H19NO/c1-2-3-4-10-5-7-11(8-6-10)12-9-13/h5,7-8,10,12-13H,2-4,6,9H2,1H3
InChIKeyPBELCWVMHUSSFZ-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.18
Rot. Bonds5

About [(4-butylcyclohexa-1,5-dien-1-yl)amino]methanol

[(4-butylcyclohexa-1,5-dien-1-yl)amino]methanol (PubChem CID 148871034) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is [(4-butylcyclohexa-1,5-dien-1-yl)amino]methanol.

Molecular Properties

Compound Name[(4-butylcyclohexa-1,5-dien-1-yl)amino]methanol
PubChem CID148871034
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name[(4-butylcyclohexa-1,5-dien-1-yl)amino]methanol
SMILESCCCCC1C=CC(NCO)=CC1
InChIInChI=1S/C11H19NO/c1-2-3-4-10-5-7-11(8-6-10)12-9-13/h5,7-8,10,12-13H,2-4,6,9H2,1H3
InChIKeyPBELCWVMHUSSFZ-UHFFFAOYSA-N
XLogP2.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(4-butylcyclohexa-1,5-dien-1-yl)amino]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[[(E)-7-methyl-6-methylidenenon-2-en-3-yl]amino]methanol
CID 89073867
N-(4-butylcyclohexa-1,5-dien-1-yl)formamide
CID 89074062
N-[(3E,5Z)-7-cyclohex-2-en-1-ylhepta-1,3,5-trien-4-yl]formamide
CID 89215140
[(7-Ethyl-8-methyl-3-bicyclo[4.1.1]octa-2,4-dienyl)amino]methanol
CID 89289051
[[(3Z)-6,7-dimethylocta-1,3-dien-2-yl]amino]methanol
CID 124142755
ethane;(2Z,4Z)-5-ethenyl-N,6-dimethylocta-2,4-dien-4-amine;methanol
CID 143599828
(2Z,4Z)-5-ethenyl-N,6-dimethylocta-2,4-dien-4-amine;methanol
CID 143599871
4-butyl-N-methylcyclohexa-1,5-dien-1-amine
CID 166763134
[[(2Z,4Z)-6-[(2R)-butan-2-yl]-3-(methylamino)nona-2,4,7-trien-2-yl]amino]methanol
CID 173871048
[[(E)-2,8-dimethyldec-3-en-2-yl]amino]methanol
CID 142399366

Frequently Asked Questions

What is the IUPAC name of [(4-butylcyclohexa-1,5-dien-1-yl)amino]methanol?
The IUPAC name of [(4-butylcyclohexa-1,5-dien-1-yl)amino]methanol (CID 148871034) is [(4-butylcyclohexa-1,5-dien-1-yl)amino]methanol.
What is the SMILES notation for [(4-butylcyclohexa-1,5-dien-1-yl)amino]methanol?
The canonical SMILES for [(4-butylcyclohexa-1,5-dien-1-yl)amino]methanol is CCCCC1C=CC(NCO)=CC1.
What is the InChIKey of [(4-butylcyclohexa-1,5-dien-1-yl)amino]methanol?
The InChIKey is PBELCWVMHUSSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-3-4-10-5-7-11(8-6-10)12-9-13/h5,7-8,10,12-13H,2-4,6,9H2,1H3.
What are the key properties of [(4-butylcyclohexa-1,5-dien-1-yl)amino]methanol?
[(4-butylcyclohexa-1,5-dien-1-yl)amino]methanol has a molecular weight of 181.28 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-butylcyclohexa-1,5-dien-1-yl)amino]methanol is sourced from PubChem (CID 148871034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).