(1R)-2-propan-2-ylcyclohexa-2,4-dien-1-amine

C9H15N — CID 139334579

IUPAC(1R)-2-propan-2-ylcyclohexa-2,4-dien-1-amine
SMILESCC(C)C1=CC=CC[C@H]1N
InChIInChI=1S/C9H15N/c1-7(2)8-5-3-4-6-9(8)10/h3-5,7,9H,6,10H2,1-2H3/t9-/m1/s1
InChIKeyMXMOECPLWCSEJM-SECBINFHSA-N
MW137.23 g/mol
LogP1.86
Rot. Bonds1

About (1R)-2-propan-2-ylcyclohexa-2,4-dien-1-amine

(1R)-2-propan-2-ylcyclohexa-2,4-dien-1-amine (PubChem CID 139334579) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (1R)-2-propan-2-ylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(1R)-2-propan-2-ylcyclohexa-2,4-dien-1-amine
PubChem CID139334579
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(1R)-2-propan-2-ylcyclohexa-2,4-dien-1-amine
SMILESCC(C)C1=CC=CC[C@H]1N
InChIInChI=1S/C9H15N/c1-7(2)8-5-3-4-6-9(8)10/h3-5,7,9H,6,10H2,1-2H3/t9-/m1/s1
InChIKeyMXMOECPLWCSEJM-SECBINFHSA-N
XLogP1.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-propan-2-ylcyclohexa-2,4-dien-1-amine?
The IUPAC name of (1R)-2-propan-2-ylcyclohexa-2,4-dien-1-amine (CID 139334579) is (1R)-2-propan-2-ylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for (1R)-2-propan-2-ylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for (1R)-2-propan-2-ylcyclohexa-2,4-dien-1-amine is CC(C)C1=CC=CC[C@H]1N.
What is the InChIKey of (1R)-2-propan-2-ylcyclohexa-2,4-dien-1-amine?
The InChIKey is MXMOECPLWCSEJM-SECBINFHSA-N. The full InChI is InChI=1S/C9H15N/c1-7(2)8-5-3-4-6-9(8)10/h3-5,7,9H,6,10H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-2-propan-2-ylcyclohexa-2,4-dien-1-amine?
(1R)-2-propan-2-ylcyclohexa-2,4-dien-1-amine has a molecular weight of 137.23 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-propan-2-ylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 139334579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).