1,7-dimethylbicyclo[2.2.1]heptan-7-amine

C9H17N — CID 55289317

IUPAC1,7-dimethylbicyclo[2.2.1]heptan-7-amine
SMILESCC12CCC(CC1)C2(C)N
InChIInChI=1S/C9H17N/c1-8-5-3-7(4-6-8)9(8,2)10/h7H,3-6,10H2,1-2H3
InChIKeyIHDAEADQODHHTM-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.91
Rot. Bonds

About 1,7-dimethylbicyclo[2.2.1]heptan-7-amine

1,7-dimethylbicyclo[2.2.1]heptan-7-amine (PubChem CID 55289317) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1,7-dimethylbicyclo[2.2.1]heptan-7-amine.

Molecular Properties

Compound Name1,7-dimethylbicyclo[2.2.1]heptan-7-amine
PubChem CID55289317
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1,7-dimethylbicyclo[2.2.1]heptan-7-amine
SMILESCC12CCC(CC1)C2(C)N
InChIInChI=1S/C9H17N/c1-8-5-3-7(4-6-8)9(8,2)10/h7H,3-6,10H2,1-2H3
InChIKeyIHDAEADQODHHTM-UHFFFAOYSA-N
XLogP1.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethylbicyclo[2.2.1]heptan-7-amine?
The IUPAC name of 1,7-dimethylbicyclo[2.2.1]heptan-7-amine (CID 55289317) is 1,7-dimethylbicyclo[2.2.1]heptan-7-amine.
What is the SMILES notation for 1,7-dimethylbicyclo[2.2.1]heptan-7-amine?
The canonical SMILES for 1,7-dimethylbicyclo[2.2.1]heptan-7-amine is CC12CCC(CC1)C2(C)N.
What is the InChIKey of 1,7-dimethylbicyclo[2.2.1]heptan-7-amine?
The InChIKey is IHDAEADQODHHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-8-5-3-7(4-6-8)9(8,2)10/h7H,3-6,10H2,1-2H3.
What are the key properties of 1,7-dimethylbicyclo[2.2.1]heptan-7-amine?
1,7-dimethylbicyclo[2.2.1]heptan-7-amine has a molecular weight of 139.24 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethylbicyclo[2.2.1]heptan-7-amine is sourced from PubChem (CID 55289317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).