[(1R,4R)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]azanium

C10H18N+ — CID 40561855

IUPAC[(1R,4R)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]azanium
SMILESC=C1C(C)(C)[C@@H]2CC[C@@]1([NH3+])C2
InChIInChI=1S/C10H17N/c1-7-9(2,3)8-4-5-10(7,11)6-8/h8H,1,4-6,11H2,2-3H3/p+1/t8-,10-/m1/s1
InChIKeyDRECVDVROUTDNN-PSASIEDQSA-O
MW152.26 g/mol
LogP1.36
Rot. Bonds

About [(1R,4R)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]azanium

[(1R,4R)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]azanium (PubChem CID 40561855) has the molecular formula C10H18N+ and a molecular weight of 152.26 g/mol. Its IUPAC name is [(1R,4R)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]azanium.

Molecular Properties

Compound Name[(1R,4R)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]azanium
PubChem CID40561855
Molecular FormulaC10H18N+
Molecular Weight152.26 g/mol
Exact Mass152.14
IUPAC Name[(1R,4R)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]azanium
SMILESC=C1C(C)(C)[C@@H]2CC[C@@]1([NH3+])C2
InChIInChI=1S/C10H17N/c1-7-9(2,3)8-4-5-10(7,11)6-8/h8H,1,4-6,11H2,2-3H3/p+1/t8-,10-/m1/s1
InChIKeyDRECVDVROUTDNN-PSASIEDQSA-O
XLogP1.36
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R,4R)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]azanium?
The IUPAC name of [(1R,4R)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]azanium (CID 40561855) is [(1R,4R)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]azanium.
What is the SMILES notation for [(1R,4R)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]azanium?
The canonical SMILES for [(1R,4R)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]azanium is C=C1C(C)(C)[C@@H]2CC[C@@]1([NH3+])C2.
What is the InChIKey of [(1R,4R)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]azanium?
The InChIKey is DRECVDVROUTDNN-PSASIEDQSA-O. The full InChI is InChI=1S/C10H17N/c1-7-9(2,3)8-4-5-10(7,11)6-8/h8H,1,4-6,11H2,2-3H3/p+1/t8-,10-/m1/s1.
What are the key properties of [(1R,4R)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]azanium?
[(1R,4R)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]azanium has a molecular weight of 152.26 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4R)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]azanium is sourced from PubChem (CID 40561855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).