(3S)-7-phenyl-N-prop-2-enylspiro[3.5]nonan-3-amine

C18H25N — CID 156602714

IUPAC(3S)-7-phenyl-N-prop-2-enylspiro[3.5]nonan-3-amine
SMILESC=CCN[C@H]1CCC12CCC(c1ccccc1)CC2
InChIInChI=1S/C18H25N/c1-2-14-19-17-10-13-18(17)11-8-16(9-12-18)15-6-4-3-5-7-15/h2-7,16-17,19H,1,8-14H2/t16?,17-,18?/m0/s1
InChIKeyVQQCGVXOTBWZQL-ADKAHSJRSA-N
MW255.41 g/mol
LogP4.27
Rot. Bonds4

About (3S)-7-phenyl-N-prop-2-enylspiro[3.5]nonan-3-amine

(3S)-7-phenyl-N-prop-2-enylspiro[3.5]nonan-3-amine (PubChem CID 156602714) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is (3S)-7-phenyl-N-prop-2-enylspiro[3.5]nonan-3-amine.

Molecular Properties

Compound Name(3S)-7-phenyl-N-prop-2-enylspiro[3.5]nonan-3-amine
PubChem CID156602714
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC Name(3S)-7-phenyl-N-prop-2-enylspiro[3.5]nonan-3-amine
SMILESC=CCN[C@H]1CCC12CCC(c1ccccc1)CC2
InChIInChI=1S/C18H25N/c1-2-14-19-17-10-13-18(17)11-8-16(9-12-18)15-6-4-3-5-7-15/h2-7,16-17,19H,1,8-14H2/t16?,17-,18?/m0/s1
InChIKeyVQQCGVXOTBWZQL-ADKAHSJRSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3S)-7-phenyl-N-prop-2-enylspiro[3.5]nonan-3-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 (3S)-7-phenyl-N-prop-2-enylspiro[3.5]nonan-3-amine?
The IUPAC name of (3S)-7-phenyl-N-prop-2-enylspiro[3.5]nonan-3-amine (CID 156602714) is (3S)-7-phenyl-N-prop-2-enylspiro[3.5]nonan-3-amine.
What is the SMILES notation for (3S)-7-phenyl-N-prop-2-enylspiro[3.5]nonan-3-amine?
The canonical SMILES for (3S)-7-phenyl-N-prop-2-enylspiro[3.5]nonan-3-amine is C=CCN[C@H]1CCC12CCC(c1ccccc1)CC2.
What is the InChIKey of (3S)-7-phenyl-N-prop-2-enylspiro[3.5]nonan-3-amine?
The InChIKey is VQQCGVXOTBWZQL-ADKAHSJRSA-N. The full InChI is InChI=1S/C18H25N/c1-2-14-19-17-10-13-18(17)11-8-16(9-12-18)15-6-4-3-5-7-15/h2-7,16-17,19H,1,8-14H2/t16?,17-,18?/m0/s1.
What are the key properties of (3S)-7-phenyl-N-prop-2-enylspiro[3.5]nonan-3-amine?
(3S)-7-phenyl-N-prop-2-enylspiro[3.5]nonan-3-amine has a molecular weight of 255.41 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7-phenyl-N-prop-2-enylspiro[3.5]nonan-3-amine is sourced from PubChem (CID 156602714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).