1-amino-4-cyclohexa-1,5-dien-1-ylpentan-1-ol

C11H19NO — CID 91325232

IUPAC1-amino-4-cyclohexa-1,5-dien-1-ylpentan-1-ol
SMILESCC(CCC(N)O)C1=CCCC=C1
InChIInChI=1S/C11H19NO/c1-9(7-8-11(12)13)10-5-3-2-4-6-10/h3,5-6,9,11,13H,2,4,7-8,12H2,1H3
InChIKeyYVXYVZCELVWSGU-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.96
Rot. Bonds4

About 1-amino-4-cyclohexa-1,5-dien-1-ylpentan-1-ol

1-amino-4-cyclohexa-1,5-dien-1-ylpentan-1-ol (PubChem CID 91325232) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-amino-4-cyclohexa-1,5-dien-1-ylpentan-1-ol.

Molecular Properties

Compound Name1-amino-4-cyclohexa-1,5-dien-1-ylpentan-1-ol
PubChem CID91325232
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-amino-4-cyclohexa-1,5-dien-1-ylpentan-1-ol
SMILESCC(CCC(N)O)C1=CCCC=C1
InChIInChI=1S/C11H19NO/c1-9(7-8-11(12)13)10-5-3-2-4-6-10/h3,5-6,9,11,13H,2,4,7-8,12H2,1H3
InChIKeyYVXYVZCELVWSGU-UHFFFAOYSA-N
XLogP1.96
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.96
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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Related Compounds

2-Amino-2-(cyclohex-3-en-1-yl)ethan-1-ol
CID 61056225
[(1R,6S)-6-(aminomethyl)cyclohex-3-en-1-yl]methanol
CID 15247348
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
1-Amino-3-cyclohexa-2,4-dien-1-ylpropan-1-ol
CID 68241255
1-Amino-2-propylpent-4-en-1-ol
CID 88029329
(4Z)-1-amino-4-(3-methylcyclohexa-1,5-dien-1-yl)hepta-4,6-dien-1-ol
CID 88903986
(5Z,7Z)-5-(3-aminopropyl)-4-methylidenenona-5,7-dien-1-ol
CID 89050113
(E)-3-amino-4-ethyldec-5-en-1-ol
CID 89126658
1-Amino-4-cyclohexa-2,4-dien-1-ylbutan-1-ol
CID 89225899
(S)-amino(cyclohex-3-en-1-yl)methanol
CID 89321957
3-(4,4a-Dihydronaphthalen-2-yl)-1-aminopropan-1-ol
CID 91498711

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-cyclohexa-1,5-dien-1-ylpentan-1-ol?
The IUPAC name of 1-amino-4-cyclohexa-1,5-dien-1-ylpentan-1-ol (CID 91325232) is 1-amino-4-cyclohexa-1,5-dien-1-ylpentan-1-ol.
What is the SMILES notation for 1-amino-4-cyclohexa-1,5-dien-1-ylpentan-1-ol?
The canonical SMILES for 1-amino-4-cyclohexa-1,5-dien-1-ylpentan-1-ol is CC(CCC(N)O)C1=CCCC=C1.
What is the InChIKey of 1-amino-4-cyclohexa-1,5-dien-1-ylpentan-1-ol?
The InChIKey is YVXYVZCELVWSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(7-8-11(12)13)10-5-3-2-4-6-10/h3,5-6,9,11,13H,2,4,7-8,12H2,1H3.
What are the key properties of 1-amino-4-cyclohexa-1,5-dien-1-ylpentan-1-ol?
1-amino-4-cyclohexa-1,5-dien-1-ylpentan-1-ol has a molecular weight of 181.28 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-cyclohexa-1,5-dien-1-ylpentan-1-ol is sourced from PubChem (CID 91325232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).