7-amino-3-propan-2-ylcyclohepta-1,3,5-trien-1-ol

C10H15NO — CID 51050523

IUPAC7-amino-3-propan-2-ylcyclohepta-1,3,5-trien-1-ol
SMILESCC(C)C1=CC=CC(N)C(O)=C1
InChIInChI=1S/C10H15NO/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7,9,12H,11H2,1-2H3
InChIKeyIMMYBERMCDPRNH-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.91
Rot. Bonds1

About 7-amino-3-propan-2-ylcyclohepta-1,3,5-trien-1-ol

7-amino-3-propan-2-ylcyclohepta-1,3,5-trien-1-ol (PubChem CID 51050523) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 7-amino-3-propan-2-ylcyclohepta-1,3,5-trien-1-ol.

Molecular Properties

Compound Name7-amino-3-propan-2-ylcyclohepta-1,3,5-trien-1-ol
PubChem CID51050523
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name7-amino-3-propan-2-ylcyclohepta-1,3,5-trien-1-ol
SMILESCC(C)C1=CC=CC(N)C(O)=C1
InChIInChI=1S/C10H15NO/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7,9,12H,11H2,1-2H3
InChIKeyIMMYBERMCDPRNH-UHFFFAOYSA-N
XLogP1.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-2-(3-methylcyclohexa-1,5-dien-1-yl)ethanol
CID 68098762
(2S)-2-amino-2-(3-methylcyclohexa-1,5-dien-1-yl)ethanol
CID 118478786
(3Z,5Z)-4-(1-aminoethyl)hepta-3,5-dien-3-ol
CID 132197045
4-[(2R)-2-amino-3-methylbut-3-enyl]cyclohepta-1,3,5-trien-1-ol
CID 139542094
(E)-1-(6-amino-4-propan-2-ylcyclohexa-2,4-dien-1-yl)but-1-en-1-ol;ethane
CID 143356830
(3E)-5-amino-6-methylhepta-1,3-dien-4-ol
CID 147406203
6-Amino-1,4-dimethylcyclohexa-2,4-dien-1-ol
CID 152083496
6-Amino-2-methylcyclohexa-1,3-dien-1-ol
CID 176132469
7-Amino-5-propan-2-ylcyclohepta-1,3,5-trien-1-ol
CID 51050524
(E)-1-(6-amino-4-propan-2-ylcyclohexa-2,4-dien-1-yl)but-1-en-1-ol
CID 143356831

Frequently Asked Questions

What is the IUPAC name of 7-amino-3-propan-2-ylcyclohepta-1,3,5-trien-1-ol?
The IUPAC name of 7-amino-3-propan-2-ylcyclohepta-1,3,5-trien-1-ol (CID 51050523) is 7-amino-3-propan-2-ylcyclohepta-1,3,5-trien-1-ol.
What is the SMILES notation for 7-amino-3-propan-2-ylcyclohepta-1,3,5-trien-1-ol?
The canonical SMILES for 7-amino-3-propan-2-ylcyclohepta-1,3,5-trien-1-ol is CC(C)C1=CC=CC(N)C(O)=C1.
What is the InChIKey of 7-amino-3-propan-2-ylcyclohepta-1,3,5-trien-1-ol?
The InChIKey is IMMYBERMCDPRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7,9,12H,11H2,1-2H3.
What are the key properties of 7-amino-3-propan-2-ylcyclohepta-1,3,5-trien-1-ol?
7-amino-3-propan-2-ylcyclohepta-1,3,5-trien-1-ol has a molecular weight of 165.24 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-propan-2-ylcyclohepta-1,3,5-trien-1-ol is sourced from PubChem (CID 51050523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).