2-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]guanidine

C11H21N3 — CID 130854529

IUPAC2-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]guanidine
SMILESCC1(C)[C@H]2CC[C@]1(C)[C@H](N=C(N)N)C2
InChIInChI=1S/C11H21N3/c1-10(2)7-4-5-11(10,3)8(6-7)14-9(12)13/h7-8H,4-6H2,1-3H3,(H4,12,13,14)/t7-,8+,11+/m0/s1
InChIKeyXHDRZFPRCJGJBQ-VAOFZXAKSA-N
MW195.31 g/mol
LogP1.47
Rot. Bonds1

About 2-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]guanidine

2-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]guanidine (PubChem CID 130854529) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]guanidine.

Molecular Properties

Compound Name2-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]guanidine
PubChem CID130854529
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]guanidine
SMILESCC1(C)[C@H]2CC[C@]1(C)[C@H](N=C(N)N)C2
InChIInChI=1S/C11H21N3/c1-10(2)7-4-5-11(10,3)8(6-7)14-9(12)13/h7-8H,4-6H2,1-3H3,(H4,12,13,14)/t7-,8+,11+/m0/s1
InChIKeyXHDRZFPRCJGJBQ-VAOFZXAKSA-N
XLogP1.47
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]guanidine?
The IUPAC name of 2-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]guanidine (CID 130854529) is 2-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]guanidine.
What is the SMILES notation for 2-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]guanidine?
The canonical SMILES for 2-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]guanidine is CC1(C)[C@H]2CC[C@]1(C)[C@H](N=C(N)N)C2.
What is the InChIKey of 2-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]guanidine?
The InChIKey is XHDRZFPRCJGJBQ-VAOFZXAKSA-N. The full InChI is InChI=1S/C11H21N3/c1-10(2)7-4-5-11(10,3)8(6-7)14-9(12)13/h7-8H,4-6H2,1-3H3,(H4,12,13,14)/t7-,8+,11+/m0/s1.
What are the key properties of 2-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]guanidine?
2-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]guanidine has a molecular weight of 195.31 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]guanidine is sourced from PubChem (CID 130854529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).