1-(butylamino)cyclohexa-2,4-dien-1-ol

C10H17NO — CID 151053684

IUPAC1-(butylamino)cyclohexa-2,4-dien-1-ol
SMILESCCCCNC1(O)C=CC=CC1
InChIInChI=1S/C10H17NO/c1-2-3-9-11-10(12)7-5-4-6-8-10/h4-7,11-12H,2-3,8-9H2,1H3
InChIKeyMEQUQVMZKPOWLP-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.58
Rot. Bonds4

About 1-(butylamino)cyclohexa-2,4-dien-1-ol

1-(butylamino)cyclohexa-2,4-dien-1-ol (PubChem CID 151053684) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(butylamino)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-(butylamino)cyclohexa-2,4-dien-1-ol
PubChem CID151053684
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(butylamino)cyclohexa-2,4-dien-1-ol
SMILESCCCCNC1(O)C=CC=CC1
InChIInChI=1S/C10H17NO/c1-2-3-9-11-10(12)7-5-4-6-8-10/h4-7,11-12H,2-3,8-9H2,1H3
InChIKeyMEQUQVMZKPOWLP-UHFFFAOYSA-N
XLogP1.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-prop-2-enyl-1H-pyridin-2-ol
CID 67378127
1-(Pentylamino)cyclohexa-3,5-diene-1,3-diol
CID 67790387
Amino-[4-(ethylamino)cyclohexa-1,5-dien-1-yl]methanol
CID 70668155
1,5-Bis(methylamino)cyclohexa-2,4-dien-1-ol
CID 71431970
1,5-Bis(ethylamino)cyclohexa-2,4-dien-1-ol
CID 86735100
1,4-Bis(methylamino)cyclohexa-2,4-dien-1-ol
CID 86741550
2-(Cyclopropylamino)-3-methylidenehex-4-en-2-ol
CID 123545980
(3E,4Z,7Z,9Z)-5-amino-2-(ethylamino)-3-ethylidene-8-methyl-6-methylidenedodeca-4,7,9,11-tetraen-2-ol
CID 137503906
(1E)-1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)buta-1,3-dien-1-ol
CID 138482575
Ethane;4-[2-(ethylamino)ethylamino]cyclohexa-1,5-dien-1-ol
CID 145255918
4-(Prop-2-ynylamino)cyclohexa-1,5-diene-1,4-diol
CID 150900439
1-(Diethylamino)cyclohexa-2,4-dien-1-ol
CID 151374708

Frequently Asked Questions

What is the IUPAC name of 1-(butylamino)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-(butylamino)cyclohexa-2,4-dien-1-ol (CID 151053684) is 1-(butylamino)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-(butylamino)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-(butylamino)cyclohexa-2,4-dien-1-ol is CCCCNC1(O)C=CC=CC1.
What is the InChIKey of 1-(butylamino)cyclohexa-2,4-dien-1-ol?
The InChIKey is MEQUQVMZKPOWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-3-9-11-10(12)7-5-4-6-8-10/h4-7,11-12H,2-3,8-9H2,1H3.
What are the key properties of 1-(butylamino)cyclohexa-2,4-dien-1-ol?
1-(butylamino)cyclohexa-2,4-dien-1-ol has a molecular weight of 167.25 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butylamino)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 151053684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).