4-amino-1-cyclohexa-1,5-dien-1-ylbutan-2-ol

C10H17NO — CID 143110144

IUPAC4-amino-1-cyclohexa-1,5-dien-1-ylbutan-2-ol
SMILESNCCC(O)CC1=CCCC=C1
InChIInChI=1S/C10H17NO/c11-7-6-10(12)8-9-4-2-1-3-5-9/h2,4-5,10,12H,1,3,6-8,11H2
InChIKeyQQSGAWHBUYFIKF-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.36
Rot. Bonds4

About 4-amino-1-cyclohexa-1,5-dien-1-ylbutan-2-ol

4-amino-1-cyclohexa-1,5-dien-1-ylbutan-2-ol (PubChem CID 143110144) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4-amino-1-cyclohexa-1,5-dien-1-ylbutan-2-ol.

Molecular Properties

Compound Name4-amino-1-cyclohexa-1,5-dien-1-ylbutan-2-ol
PubChem CID143110144
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4-amino-1-cyclohexa-1,5-dien-1-ylbutan-2-ol
SMILESNCCC(O)CC1=CCCC=C1
InChIInChI=1S/C10H17NO/c11-7-6-10(12)8-9-4-2-1-3-5-9/h2,4-5,10,12H,1,3,6-8,11H2
InChIKeyQQSGAWHBUYFIKF-UHFFFAOYSA-N
XLogP1.36
TPSA46.25 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 ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5Z)-1-amino-7-fluoro-4-methylideneocta-5,7-dien-3-ol
CID 176967958
(1R)-2-amino-1-cyclohexa-2,4-dien-1-ylethanol
CID 59515457
(2R,4Z)-1-amino-5-ethylhepta-4,6-dien-2-ol
CID 88905625
2-Amino-1-cyclohexa-1,3-dien-1-ylethanol
CID 89185800
(1S,2R,4Z,6Z)-2-amino-3-methylidenecyclonona-4,6-dien-1-ol
CID 117801634
1-Amino-2-cyclohexa-1,3-dien-1-ylethanol
CID 118984000
3-Amino-1-cyclohexa-2,4-dien-1-ylpropan-1-ol
CID 123502291
1-Amino-4-ethenylhepta-4,6-dien-3-ol
CID 123962499
(1S,2S)-2-amino-1-(3-methylcyclohexa-2,4-dien-1-yl)propan-1-ol
CID 134533651
4-Amino-1-cyclohepta-1,3,5-trien-1-ylbutan-2-ol
CID 143093994
4-Cyclohexa-1,5-dien-1-yl-3-methoxybutan-1-amine
CID 143109891
(Z)-3-methoxy-5-[(Z)-prop-1-enyl]oct-5-en-1-amine
CID 143110187

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclohexa-1,5-dien-1-ylbutan-2-ol?
The IUPAC name of 4-amino-1-cyclohexa-1,5-dien-1-ylbutan-2-ol (CID 143110144) is 4-amino-1-cyclohexa-1,5-dien-1-ylbutan-2-ol.
What is the SMILES notation for 4-amino-1-cyclohexa-1,5-dien-1-ylbutan-2-ol?
The canonical SMILES for 4-amino-1-cyclohexa-1,5-dien-1-ylbutan-2-ol is NCCC(O)CC1=CCCC=C1.
What is the InChIKey of 4-amino-1-cyclohexa-1,5-dien-1-ylbutan-2-ol?
The InChIKey is QQSGAWHBUYFIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c11-7-6-10(12)8-9-4-2-1-3-5-9/h2,4-5,10,12H,1,3,6-8,11H2.
What are the key properties of 4-amino-1-cyclohexa-1,5-dien-1-ylbutan-2-ol?
4-amino-1-cyclohexa-1,5-dien-1-ylbutan-2-ol has a molecular weight of 167.25 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclohexa-1,5-dien-1-ylbutan-2-ol is sourced from PubChem (CID 143110144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).