4-amino-2-(6-methylcyclohexa-1,3-dien-1-yl)butan-1-ol

C11H19NO — CID 142909421

IUPAC4-amino-2-(6-methylcyclohexa-1,3-dien-1-yl)butan-1-ol
SMILESCC1CC=CC=C1C(CO)CCN
InChIInChI=1S/C11H19NO/c1-9-4-2-3-5-11(9)10(8-13)6-7-12/h2-3,5,9-10,13H,4,6-8,12H2,1H3
InChIKeySBJQRPWVWAHLHB-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.47
Rot. Bonds4

About 4-amino-2-(6-methylcyclohexa-1,3-dien-1-yl)butan-1-ol

4-amino-2-(6-methylcyclohexa-1,3-dien-1-yl)butan-1-ol (PubChem CID 142909421) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-amino-2-(6-methylcyclohexa-1,3-dien-1-yl)butan-1-ol.

Molecular Properties

Compound Name4-amino-2-(6-methylcyclohexa-1,3-dien-1-yl)butan-1-ol
PubChem CID142909421
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-amino-2-(6-methylcyclohexa-1,3-dien-1-yl)butan-1-ol
SMILESCC1CC=CC=C1C(CO)CCN
InChIInChI=1S/C11H19NO/c1-9-4-2-3-5-11(9)10(8-13)6-7-12/h2-3,5,9-10,13H,4,6-8,12H2,1H3
InChIKeySBJQRPWVWAHLHB-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,6S)-6-(aminomethyl)cyclohex-3-en-1-yl]methanol
CID 15247348
6-(3-Amino-2-methylpropyl)cyclohex-3-en-1-ol
CID 68186766
1-Amino-3-cyclohexa-2,4-dien-1-ylpropan-1-ol
CID 68241255
(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
1-Amino-4-cyclohexa-2,4-dien-1-ylbutan-1-ol
CID 89225899
(6S)-6-[(2S)-3-amino-2-methylpropyl]cyclohex-3-en-1-ol
CID 89473215
1-Amino-4-cyclohexa-1,5-dien-1-ylpentan-1-ol
CID 91325232
1-Amino-2-cyclohexa-1,3-dien-1-ylethanol
CID 118984000
[5-(Aminomethyl)-2,4,6-trimethylcyclohexa-2,4-dien-1-yl]methanol
CID 121461582
Amino-(2-ethylcyclohex-2-en-1-yl)methanol
CID 123580347
(9Z)-1-amino-2,5-dimethyldodeca-5,6,9-trien-1-ol
CID 126612291

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(6-methylcyclohexa-1,3-dien-1-yl)butan-1-ol?
The IUPAC name of 4-amino-2-(6-methylcyclohexa-1,3-dien-1-yl)butan-1-ol (CID 142909421) is 4-amino-2-(6-methylcyclohexa-1,3-dien-1-yl)butan-1-ol.
What is the SMILES notation for 4-amino-2-(6-methylcyclohexa-1,3-dien-1-yl)butan-1-ol?
The canonical SMILES for 4-amino-2-(6-methylcyclohexa-1,3-dien-1-yl)butan-1-ol is CC1CC=CC=C1C(CO)CCN.
What is the InChIKey of 4-amino-2-(6-methylcyclohexa-1,3-dien-1-yl)butan-1-ol?
The InChIKey is SBJQRPWVWAHLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9-4-2-3-5-11(9)10(8-13)6-7-12/h2-3,5,9-10,13H,4,6-8,12H2,1H3.
What are the key properties of 4-amino-2-(6-methylcyclohexa-1,3-dien-1-yl)butan-1-ol?
4-amino-2-(6-methylcyclohexa-1,3-dien-1-yl)butan-1-ol has a molecular weight of 181.28 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(6-methylcyclohexa-1,3-dien-1-yl)butan-1-ol is sourced from PubChem (CID 142909421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).