1,4-dimethylbicyclo[2.2.0]hexan-2-amine

C8H15N — CID 21027897

IUPAC1,4-dimethylbicyclo[2.2.0]hexan-2-amine
SMILESCC12CCC1(C)C(N)C2
InChIInChI=1S/C8H15N/c1-7-3-4-8(7,2)6(9)5-7/h6H,3-5,9H2,1-2H3
InChIKeyBVPOLZGTDXKVMG-UHFFFAOYSA-N
MW125.22 g/mol
LogP1.52
Rot. Bonds

About 1,4-dimethylbicyclo[2.2.0]hexan-2-amine

1,4-dimethylbicyclo[2.2.0]hexan-2-amine (PubChem CID 21027897) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is 1,4-dimethylbicyclo[2.2.0]hexan-2-amine.

Molecular Properties

Compound Name1,4-dimethylbicyclo[2.2.0]hexan-2-amine
PubChem CID21027897
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name1,4-dimethylbicyclo[2.2.0]hexan-2-amine
SMILESCC12CCC1(C)C(N)C2
InChIInChI=1S/C8H15N/c1-7-3-4-8(7,2)6(9)5-7/h6H,3-5,9H2,1-2H3
InChIKeyBVPOLZGTDXKVMG-UHFFFAOYSA-N
XLogP1.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylbicyclo[2.2.0]hexan-2-amine?
The IUPAC name of 1,4-dimethylbicyclo[2.2.0]hexan-2-amine (CID 21027897) is 1,4-dimethylbicyclo[2.2.0]hexan-2-amine.
What is the SMILES notation for 1,4-dimethylbicyclo[2.2.0]hexan-2-amine?
The canonical SMILES for 1,4-dimethylbicyclo[2.2.0]hexan-2-amine is CC12CCC1(C)C(N)C2.
What is the InChIKey of 1,4-dimethylbicyclo[2.2.0]hexan-2-amine?
The InChIKey is BVPOLZGTDXKVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-7-3-4-8(7,2)6(9)5-7/h6H,3-5,9H2,1-2H3.
What are the key properties of 1,4-dimethylbicyclo[2.2.0]hexan-2-amine?
1,4-dimethylbicyclo[2.2.0]hexan-2-amine has a molecular weight of 125.22 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylbicyclo[2.2.0]hexan-2-amine is sourced from PubChem (CID 21027897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).