N-methyltricyclo[3.1.1.03,6]heptan-2-amine

C8H13N — CID 59248622

IUPACN-methyltricyclo[3.1.1.03,6]heptan-2-amine
SMILESCNC1C2CC3CC1C32
InChIInChI=1S/C8H13N/c1-9-8-5-2-4-3-6(8)7(4)5/h4-9H,2-3H2,1H3
InChIKeyULIGELVVWYFXKE-UHFFFAOYSA-N
MW123.20 g/mol
LogP0.86
Rot. Bonds1

About N-methyltricyclo[3.1.1.03,6]heptan-2-amine

N-methyltricyclo[3.1.1.03,6]heptan-2-amine (PubChem CID 59248622) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N-methyltricyclo[3.1.1.03,6]heptan-2-amine.

Molecular Properties

Compound NameN-methyltricyclo[3.1.1.03,6]heptan-2-amine
PubChem CID59248622
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN-methyltricyclo[3.1.1.03,6]heptan-2-amine
SMILESCNC1C2CC3CC1C32
InChIInChI=1S/C8H13N/c1-9-8-5-2-4-3-6(8)7(4)5/h4-9H,2-3H2,1H3
InChIKeyULIGELVVWYFXKE-UHFFFAOYSA-N
XLogP0.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyltricyclo[3.1.1.03,6]heptan-2-amine?
The IUPAC name of N-methyltricyclo[3.1.1.03,6]heptan-2-amine (CID 59248622) is N-methyltricyclo[3.1.1.03,6]heptan-2-amine.
What is the SMILES notation for N-methyltricyclo[3.1.1.03,6]heptan-2-amine?
The canonical SMILES for N-methyltricyclo[3.1.1.03,6]heptan-2-amine is CNC1C2CC3CC1C32.
What is the InChIKey of N-methyltricyclo[3.1.1.03,6]heptan-2-amine?
The InChIKey is ULIGELVVWYFXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-9-8-5-2-4-3-6(8)7(4)5/h4-9H,2-3H2,1H3.
What are the key properties of N-methyltricyclo[3.1.1.03,6]heptan-2-amine?
N-methyltricyclo[3.1.1.03,6]heptan-2-amine has a molecular weight of 123.20 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyltricyclo[3.1.1.03,6]heptan-2-amine is sourced from PubChem (CID 59248622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).