(1R,2S,5R)-4,6,6-trimethyl-2-prop-2-enylbicyclo[3.1.1]hept-3-en-2-amine

C13H21N — CID 51014120

IUPAC(1R,2S,5R)-4,6,6-trimethyl-2-prop-2-enylbicyclo[3.1.1]hept-3-en-2-amine
SMILESC=CC[C@]1(N)C=C(C)[C@H]2C[C@@H]1C2(C)C
InChIInChI=1S/C13H21N/c1-5-6-13(14)8-9(2)10-7-11(13)12(10,3)4/h5,8,10-11H,1,6-7,14H2,2-4H3/t10-,11-,13+/m1/s1
InChIKeyVTTRCJSNPUIZDJ-WZRBSPASSA-N
MW191.32 g/mol
LogP2.88
Rot. Bonds2

About (1R,2S,5R)-4,6,6-trimethyl-2-prop-2-enylbicyclo[3.1.1]hept-3-en-2-amine

(1R,2S,5R)-4,6,6-trimethyl-2-prop-2-enylbicyclo[3.1.1]hept-3-en-2-amine (PubChem CID 51014120) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is (1R,2S,5R)-4,6,6-trimethyl-2-prop-2-enylbicyclo[3.1.1]hept-3-en-2-amine.

Molecular Properties

Compound Name(1R,2S,5R)-4,6,6-trimethyl-2-prop-2-enylbicyclo[3.1.1]hept-3-en-2-amine
PubChem CID51014120
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name(1R,2S,5R)-4,6,6-trimethyl-2-prop-2-enylbicyclo[3.1.1]hept-3-en-2-amine
SMILESC=CC[C@]1(N)C=C(C)[C@H]2C[C@@H]1C2(C)C
InChIInChI=1S/C13H21N/c1-5-6-13(14)8-9(2)10-7-11(13)12(10,3)4/h5,8,10-11H,1,6-7,14H2,2-4H3/t10-,11-,13+/m1/s1
InChIKeyVTTRCJSNPUIZDJ-WZRBSPASSA-N
XLogP2.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,2S,5R)-4,6,6-trimethyl-2-prop-2-enylbicyclo[3.1.1]hept-3-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-4,6,6-trimethyl-2-prop-2-enylbicyclo[3.1.1]hept-3-en-2-amine?
The IUPAC name of (1R,2S,5R)-4,6,6-trimethyl-2-prop-2-enylbicyclo[3.1.1]hept-3-en-2-amine (CID 51014120) is (1R,2S,5R)-4,6,6-trimethyl-2-prop-2-enylbicyclo[3.1.1]hept-3-en-2-amine.
What is the SMILES notation for (1R,2S,5R)-4,6,6-trimethyl-2-prop-2-enylbicyclo[3.1.1]hept-3-en-2-amine?
The canonical SMILES for (1R,2S,5R)-4,6,6-trimethyl-2-prop-2-enylbicyclo[3.1.1]hept-3-en-2-amine is C=CC[C@]1(N)C=C(C)[C@H]2C[C@@H]1C2(C)C.
What is the InChIKey of (1R,2S,5R)-4,6,6-trimethyl-2-prop-2-enylbicyclo[3.1.1]hept-3-en-2-amine?
The InChIKey is VTTRCJSNPUIZDJ-WZRBSPASSA-N. The full InChI is InChI=1S/C13H21N/c1-5-6-13(14)8-9(2)10-7-11(13)12(10,3)4/h5,8,10-11H,1,6-7,14H2,2-4H3/t10-,11-,13+/m1/s1.
What are the key properties of (1R,2S,5R)-4,6,6-trimethyl-2-prop-2-enylbicyclo[3.1.1]hept-3-en-2-amine?
(1R,2S,5R)-4,6,6-trimethyl-2-prop-2-enylbicyclo[3.1.1]hept-3-en-2-amine has a molecular weight of 191.32 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-4,6,6-trimethyl-2-prop-2-enylbicyclo[3.1.1]hept-3-en-2-amine is sourced from PubChem (CID 51014120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).