1-amino-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-ol

C10H17NO — CID 90949572

IUPAC1-amino-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-ol
SMILESCC(O)C(N)C1(C)C=CC=CC1
InChIInChI=1S/C10H17NO/c1-8(12)9(11)10(2)6-4-3-5-7-10/h3-6,8-9,12H,7,11H2,1-2H3
InChIKeyMKYIIYQHDAZVKS-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.22
Rot. Bonds2

About 1-amino-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-ol

1-amino-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-ol (PubChem CID 90949572) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-amino-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-ol
PubChem CID90949572
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-amino-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-ol
SMILESCC(O)C(N)C1(C)C=CC=CC1
InChIInChI=1S/C10H17NO/c1-8(12)9(11)10(2)6-4-3-5-7-10/h3-6,8-9,12H,7,11H2,1-2H3
InChIKeyMKYIIYQHDAZVKS-UHFFFAOYSA-N
XLogP1.22
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-ol?
The IUPAC name of 1-amino-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-ol (CID 90949572) is 1-amino-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-ol.
What is the SMILES notation for 1-amino-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-ol?
The canonical SMILES for 1-amino-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-ol is CC(O)C(N)C1(C)C=CC=CC1.
What is the InChIKey of 1-amino-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-ol?
The InChIKey is MKYIIYQHDAZVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(12)9(11)10(2)6-4-3-5-7-10/h3-6,8-9,12H,7,11H2,1-2H3.
What are the key properties of 1-amino-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-ol?
1-amino-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-ol has a molecular weight of 167.25 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-ol is sourced from PubChem (CID 90949572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).