1-(3-aminobutyl)cyclohexa-2,4-dien-1-ol

C10H17NO — CID 154330950

IUPAC1-(3-aminobutyl)cyclohexa-2,4-dien-1-ol
SMILESCC(N)CCC1(O)C=CC=CC1
InChIInChI=1S/C10H17NO/c1-9(11)5-8-10(12)6-3-2-4-7-10/h2-4,6,9,12H,5,7-8,11H2,1H3
InChIKeyNHPWTTZZUKKYCP-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.36
Rot. Bonds3

About 1-(3-aminobutyl)cyclohexa-2,4-dien-1-ol

1-(3-aminobutyl)cyclohexa-2,4-dien-1-ol (PubChem CID 154330950) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(3-aminobutyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-(3-aminobutyl)cyclohexa-2,4-dien-1-ol
PubChem CID154330950
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(3-aminobutyl)cyclohexa-2,4-dien-1-ol
SMILESCC(N)CCC1(O)C=CC=CC1
InChIInChI=1S/C10H17NO/c1-9(11)5-8-10(12)6-3-2-4-7-10/h2-4,6,9,12H,5,7-8,11H2,1H3
InChIKeyNHPWTTZZUKKYCP-UHFFFAOYSA-N
XLogP1.36
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

(R*,R*)-(1)-alpha-(1-Aminoethyl)benzyl alcohol hydrochloride
CID 6451279
(1R)-1-[(2R)-2-aminopropyl]cyclohexa-2,4-dien-1-ol;hydron;chloride
CID 146677614
1-(1-Aminoethyl)cyclohexa-3,5-diene-1,3-diol
CID 20222054
m-Diethyl-aminophenol
CID 69344032
1-(2-Aminopropyl)cyclohexa-2,4-dien-1-ol
CID 78410869
2-Amino-1,1-di(cyclohexa-2,4-dien-1-yl)propan-1-ol
CID 124001574
6-(Methylamino)-1-propylcyclohexa-2,4-dien-1-ol
CID 141018529
1-(Aminomethyl)-6-methyl-2,3,4,6-tetrahydrobenzo[7]annulen-1-ol
CID 141951006
(3Z,6S,9S)-9-amino-6-methyl-5-methylidenedeca-1,3-dien-2-ol
CID 142093862
(1S)-1-amino-1-cyclohexa-2,4-dien-1-yl-2-methylpropan-2-ol
CID 144195655
(3Z)-9-amino-6-methyl-5-methylidenedeca-1,3-dien-2-ol
CID 144305601
5-Amino-4-methyl-1-propan-2-ylcyclohex-2-en-1-ol
CID 144423340

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminobutyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-(3-aminobutyl)cyclohexa-2,4-dien-1-ol (CID 154330950) is 1-(3-aminobutyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-(3-aminobutyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-(3-aminobutyl)cyclohexa-2,4-dien-1-ol is CC(N)CCC1(O)C=CC=CC1.
What is the InChIKey of 1-(3-aminobutyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is NHPWTTZZUKKYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-9(11)5-8-10(12)6-3-2-4-7-10/h2-4,6,9,12H,5,7-8,11H2,1H3.
What are the key properties of 1-(3-aminobutyl)cyclohexa-2,4-dien-1-ol?
1-(3-aminobutyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 167.25 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminobutyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 154330950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).