(1S,2S,4R,5R,8S)-2,6,7-trimethyl-4-propan-2-ylbicyclo[3.2.1]oct-6-en-8-amine

C14H25N — CID 11805903

IUPAC(1S,2S,4R,5R,8S)-2,6,7-trimethyl-4-propan-2-ylbicyclo[3.2.1]oct-6-en-8-amine
SMILESCC1=C(C)[C@H]2[C@H](N)[C@@H]1[C@@H](C(C)C)C[C@@H]2C
InChIInChI=1S/C14H25N/c1-7(2)11-6-8(3)12-9(4)10(5)13(11)14(12)15/h7-8,11-14H,6,15H2,1-5H3/t8-,11+,12-,13-,14-/m0/s1
InChIKeyPBJHVLWTAPTMFL-DRLPCLEQSA-N
MW207.36 g/mol
LogP3.21
Rot. Bonds1

About (1S,2S,4R,5R,8S)-2,6,7-trimethyl-4-propan-2-ylbicyclo[3.2.1]oct-6-en-8-amine

(1S,2S,4R,5R,8S)-2,6,7-trimethyl-4-propan-2-ylbicyclo[3.2.1]oct-6-en-8-amine (PubChem CID 11805903) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (1S,2S,4R,5R,8S)-2,6,7-trimethyl-4-propan-2-ylbicyclo[3.2.1]oct-6-en-8-amine.

Molecular Properties

Compound Name(1S,2S,4R,5R,8S)-2,6,7-trimethyl-4-propan-2-ylbicyclo[3.2.1]oct-6-en-8-amine
PubChem CID11805903
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(1S,2S,4R,5R,8S)-2,6,7-trimethyl-4-propan-2-ylbicyclo[3.2.1]oct-6-en-8-amine
SMILESCC1=C(C)[C@H]2[C@H](N)[C@@H]1[C@@H](C(C)C)C[C@@H]2C
InChIInChI=1S/C14H25N/c1-7(2)11-6-8(3)12-9(4)10(5)13(11)14(12)15/h7-8,11-14H,6,15H2,1-5H3/t8-,11+,12-,13-,14-/m0/s1
InChIKeyPBJHVLWTAPTMFL-DRLPCLEQSA-N
XLogP3.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (1S,2S,4R,5R,8S)-2,6,7-trimethyl-4-propan-2-ylbicyclo[3.2.1]oct-6-en-8-amine?
The IUPAC name of (1S,2S,4R,5R,8S)-2,6,7-trimethyl-4-propan-2-ylbicyclo[3.2.1]oct-6-en-8-amine (CID 11805903) is (1S,2S,4R,5R,8S)-2,6,7-trimethyl-4-propan-2-ylbicyclo[3.2.1]oct-6-en-8-amine.
What is the SMILES notation for (1S,2S,4R,5R,8S)-2,6,7-trimethyl-4-propan-2-ylbicyclo[3.2.1]oct-6-en-8-amine?
The canonical SMILES for (1S,2S,4R,5R,8S)-2,6,7-trimethyl-4-propan-2-ylbicyclo[3.2.1]oct-6-en-8-amine is CC1=C(C)[C@H]2[C@H](N)[C@@H]1[C@@H](C(C)C)C[C@@H]2C.
What is the InChIKey of (1S,2S,4R,5R,8S)-2,6,7-trimethyl-4-propan-2-ylbicyclo[3.2.1]oct-6-en-8-amine?
The InChIKey is PBJHVLWTAPTMFL-DRLPCLEQSA-N. The full InChI is InChI=1S/C14H25N/c1-7(2)11-6-8(3)12-9(4)10(5)13(11)14(12)15/h7-8,11-14H,6,15H2,1-5H3/t8-,11+,12-,13-,14-/m0/s1.
What are the key properties of (1S,2S,4R,5R,8S)-2,6,7-trimethyl-4-propan-2-ylbicyclo[3.2.1]oct-6-en-8-amine?
(1S,2S,4R,5R,8S)-2,6,7-trimethyl-4-propan-2-ylbicyclo[3.2.1]oct-6-en-8-amine has a molecular weight of 207.36 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R,5R,8S)-2,6,7-trimethyl-4-propan-2-ylbicyclo[3.2.1]oct-6-en-8-amine is sourced from PubChem (CID 11805903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).