(1R)-2,4-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine

C9H13N — CID 170098085

IUPAC(1R)-2,4-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine
SMILESCC1=CC2C[C@H]2C(C)=C1N
InChIInChI=1S/C9H13N/c1-5-3-7-4-8(7)6(2)9(5)10/h3,7-8H,4,10H2,1-2H3/t7?,8-/m0/s1
InChIKeyOBXLJUFVONXFST-MQWKRIRWSA-N
MW135.21 g/mol
LogP1.82
Rot. Bonds

About (1R)-2,4-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine

(1R)-2,4-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine (PubChem CID 170098085) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is (1R)-2,4-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine.

Molecular Properties

Compound Name(1R)-2,4-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine
PubChem CID170098085
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name(1R)-2,4-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine
SMILESCC1=CC2C[C@H]2C(C)=C1N
InChIInChI=1S/C9H13N/c1-5-3-7-4-8(7)6(2)9(5)10/h3,7-8H,4,10H2,1-2H3/t7?,8-/m0/s1
InChIKeyOBXLJUFVONXFST-MQWKRIRWSA-N
XLogP1.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,4-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine?
The IUPAC name of (1R)-2,4-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine (CID 170098085) is (1R)-2,4-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine.
What is the SMILES notation for (1R)-2,4-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine?
The canonical SMILES for (1R)-2,4-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine is CC1=CC2C[C@H]2C(C)=C1N.
What is the InChIKey of (1R)-2,4-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine?
The InChIKey is OBXLJUFVONXFST-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H13N/c1-5-3-7-4-8(7)6(2)9(5)10/h3,7-8H,4,10H2,1-2H3/t7?,8-/m0/s1.
What are the key properties of (1R)-2,4-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine?
(1R)-2,4-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine has a molecular weight of 135.21 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,4-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine is sourced from PubChem (CID 170098085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).