4-[(4-aminocyclohexa-1,3-dien-1-yl)-methylamino]butan-2-ol

C11H20N2O — CID 144712603

IUPAC4-[(4-aminocyclohexa-1,3-dien-1-yl)-methylamino]butan-2-ol
SMILESCC(O)CCN(C)C1=CC=C(N)CC1
InChIInChI=1S/C11H20N2O/c1-9(14)7-8-13(2)11-5-3-10(12)4-6-11/h3,5,9,14H,4,6-8,12H2,1-2H3
InChIKeyNXTMTTDYDVMVBC-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.21
Rot. Bonds4

About 4-[(4-aminocyclohexa-1,3-dien-1-yl)-methylamino]butan-2-ol

4-[(4-aminocyclohexa-1,3-dien-1-yl)-methylamino]butan-2-ol (PubChem CID 144712603) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-[(4-aminocyclohexa-1,3-dien-1-yl)-methylamino]butan-2-ol.

Molecular Properties

Compound Name4-[(4-aminocyclohexa-1,3-dien-1-yl)-methylamino]butan-2-ol
PubChem CID144712603
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name4-[(4-aminocyclohexa-1,3-dien-1-yl)-methylamino]butan-2-ol
SMILESCC(O)CCN(C)C1=CC=C(N)CC1
InChIInChI=1S/C11H20N2O/c1-9(14)7-8-13(2)11-5-3-10(12)4-6-11/h3,5,9,14H,4,6-8,12H2,1-2H3
InChIKeyNXTMTTDYDVMVBC-UHFFFAOYSA-N
XLogP1.21
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(4-aminocyclohexa-1,3-dien-1-yl)-methylamino]butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[Butyl(propyl)amino]cyclohexa-2,4-dien-1-ol
CID 70845294
1-(1-Aminohepta-2,4-dien-4-yl)piperidin-4-ol
CID 123300699
2-[(4-Aminocyclohexa-1,3-dien-1-yl)-(2-hydroxyethyl)amino]ethanol
CID 143535047
ethane;(2S)-4-[methyl-[(Z)-4-methylidenehex-2-en-2-yl]amino]butan-2-ol
CID 153556904
4-[[(3Z)-5-aminohexa-1,3,5-trien-2-yl]-methylamino]butan-2-ol
CID 155721816
1-(2-Aminocyclohexa-1,5-dien-1-yl)piperidin-4-ol
CID 174268396
2-[(4-Amino-3-methylcyclohexa-1,3-dien-1-yl)-(hydroxymethyl)amino]ethanol
CID 145576945
(2S)-4-[methyl-[(Z)-4-methylidenehex-2-en-2-yl]amino]butan-2-ol
CID 153556905

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminocyclohexa-1,3-dien-1-yl)-methylamino]butan-2-ol?
The IUPAC name of 4-[(4-aminocyclohexa-1,3-dien-1-yl)-methylamino]butan-2-ol (CID 144712603) is 4-[(4-aminocyclohexa-1,3-dien-1-yl)-methylamino]butan-2-ol.
What is the SMILES notation for 4-[(4-aminocyclohexa-1,3-dien-1-yl)-methylamino]butan-2-ol?
The canonical SMILES for 4-[(4-aminocyclohexa-1,3-dien-1-yl)-methylamino]butan-2-ol is CC(O)CCN(C)C1=CC=C(N)CC1.
What is the InChIKey of 4-[(4-aminocyclohexa-1,3-dien-1-yl)-methylamino]butan-2-ol?
The InChIKey is NXTMTTDYDVMVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9(14)7-8-13(2)11-5-3-10(12)4-6-11/h3,5,9,14H,4,6-8,12H2,1-2H3.
What are the key properties of 4-[(4-aminocyclohexa-1,3-dien-1-yl)-methylamino]butan-2-ol?
4-[(4-aminocyclohexa-1,3-dien-1-yl)-methylamino]butan-2-ol has a molecular weight of 196.29 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminocyclohexa-1,3-dien-1-yl)-methylamino]butan-2-ol is sourced from PubChem (CID 144712603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).