(6S)-5-[(1Z)-buta-1,3-dienyl]-4,7,7-trimethylspiro[2.4]hept-4-en-6-amine

C14H21N — CID 166915033

IUPAC(6S)-5-[(1Z)-buta-1,3-dienyl]-4,7,7-trimethylspiro[2.4]hept-4-en-6-amine
SMILESC=C/C=C\C1=C(C)C2(CC2)C(C)(C)[C@@H]1N
InChIInChI=1S/C14H21N/c1-5-6-7-11-10(2)14(8-9-14)13(3,4)12(11)15/h5-7,12H,1,8-9,15H2,2-4H3/b7-6-/t12-/m1/s1
InChIKeyJAXOCJOYFOALKU-ZHRWSRJISA-N
MW203.33 g/mol
LogP3.19
Rot. Bonds2

About (6S)-5-[(1Z)-buta-1,3-dienyl]-4,7,7-trimethylspiro[2.4]hept-4-en-6-amine

(6S)-5-[(1Z)-buta-1,3-dienyl]-4,7,7-trimethylspiro[2.4]hept-4-en-6-amine (PubChem CID 166915033) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (6S)-5-[(1Z)-buta-1,3-dienyl]-4,7,7-trimethylspiro[2.4]hept-4-en-6-amine.

Molecular Properties

Compound Name(6S)-5-[(1Z)-buta-1,3-dienyl]-4,7,7-trimethylspiro[2.4]hept-4-en-6-amine
PubChem CID166915033
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(6S)-5-[(1Z)-buta-1,3-dienyl]-4,7,7-trimethylspiro[2.4]hept-4-en-6-amine
SMILESC=C/C=C\C1=C(C)C2(CC2)C(C)(C)[C@@H]1N
InChIInChI=1S/C14H21N/c1-5-6-7-11-10(2)14(8-9-14)13(3,4)12(11)15/h5-7,12H,1,8-9,15H2,2-4H3/b7-6-/t12-/m1/s1
InChIKeyJAXOCJOYFOALKU-ZHRWSRJISA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (6S)-5-[(1Z)-buta-1,3-dienyl]-4,7,7-trimethylspiro[2.4]hept-4-en-6-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 (6S)-5-[(1Z)-buta-1,3-dienyl]-4,7,7-trimethylspiro[2.4]hept-4-en-6-amine?
The IUPAC name of (6S)-5-[(1Z)-buta-1,3-dienyl]-4,7,7-trimethylspiro[2.4]hept-4-en-6-amine (CID 166915033) is (6S)-5-[(1Z)-buta-1,3-dienyl]-4,7,7-trimethylspiro[2.4]hept-4-en-6-amine.
What is the SMILES notation for (6S)-5-[(1Z)-buta-1,3-dienyl]-4,7,7-trimethylspiro[2.4]hept-4-en-6-amine?
The canonical SMILES for (6S)-5-[(1Z)-buta-1,3-dienyl]-4,7,7-trimethylspiro[2.4]hept-4-en-6-amine is C=C/C=C\C1=C(C)C2(CC2)C(C)(C)[C@@H]1N.
What is the InChIKey of (6S)-5-[(1Z)-buta-1,3-dienyl]-4,7,7-trimethylspiro[2.4]hept-4-en-6-amine?
The InChIKey is JAXOCJOYFOALKU-ZHRWSRJISA-N. The full InChI is InChI=1S/C14H21N/c1-5-6-7-11-10(2)14(8-9-14)13(3,4)12(11)15/h5-7,12H,1,8-9,15H2,2-4H3/b7-6-/t12-/m1/s1.
What are the key properties of (6S)-5-[(1Z)-buta-1,3-dienyl]-4,7,7-trimethylspiro[2.4]hept-4-en-6-amine?
(6S)-5-[(1Z)-buta-1,3-dienyl]-4,7,7-trimethylspiro[2.4]hept-4-en-6-amine has a molecular weight of 203.33 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-5-[(1Z)-buta-1,3-dienyl]-4,7,7-trimethylspiro[2.4]hept-4-en-6-amine is sourced from PubChem (CID 166915033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).