2-methyl-N-[(5S)-5-methyl-3-propan-2-ylcyclohepta-1,3,6-trien-1-yl]propan-1-imine

C15H23N — CID 130223757

IUPAC2-methyl-N-[(5S)-5-methyl-3-propan-2-ylcyclohepta-1,3,6-trien-1-yl]propan-1-imine
SMILESCC(C)/C=N/C1=CC(C(C)C)=C[C@@H](C)C=C1
InChIInChI=1S/C15H23N/c1-11(2)10-16-15-7-6-13(5)8-14(9-15)12(3)4/h6-13H,1-5H3/b16-10+/t13-/m0/s1
InChIKeyZYLWNTVDUYRQPT-RKPNYOAGSA-N
MW217.36 g/mol
LogP4.39
Rot. Bonds3

About 2-methyl-N-[(5S)-5-methyl-3-propan-2-ylcyclohepta-1,3,6-trien-1-yl]propan-1-imine

2-methyl-N-[(5S)-5-methyl-3-propan-2-ylcyclohepta-1,3,6-trien-1-yl]propan-1-imine (PubChem CID 130223757) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-methyl-N-[(5S)-5-methyl-3-propan-2-ylcyclohepta-1,3,6-trien-1-yl]propan-1-imine.

Molecular Properties

Compound Name2-methyl-N-[(5S)-5-methyl-3-propan-2-ylcyclohepta-1,3,6-trien-1-yl]propan-1-imine
PubChem CID130223757
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2-methyl-N-[(5S)-5-methyl-3-propan-2-ylcyclohepta-1,3,6-trien-1-yl]propan-1-imine
SMILESCC(C)/C=N/C1=CC(C(C)C)=C[C@@H](C)C=C1
InChIInChI=1S/C15H23N/c1-11(2)10-16-15-7-6-13(5)8-14(9-15)12(3)4/h6-13H,1-5H3/b16-10+/t13-/m0/s1
InChIKeyZYLWNTVDUYRQPT-RKPNYOAGSA-N
XLogP4.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[(5S)-5-methyl-3-propan-2-ylcyclohepta-1,3,6-trien-1-yl]propan-1-imine 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 2-methyl-N-[(5S)-5-methyl-3-propan-2-ylcyclohepta-1,3,6-trien-1-yl]propan-1-imine?
The IUPAC name of 2-methyl-N-[(5S)-5-methyl-3-propan-2-ylcyclohepta-1,3,6-trien-1-yl]propan-1-imine (CID 130223757) is 2-methyl-N-[(5S)-5-methyl-3-propan-2-ylcyclohepta-1,3,6-trien-1-yl]propan-1-imine.
What is the SMILES notation for 2-methyl-N-[(5S)-5-methyl-3-propan-2-ylcyclohepta-1,3,6-trien-1-yl]propan-1-imine?
The canonical SMILES for 2-methyl-N-[(5S)-5-methyl-3-propan-2-ylcyclohepta-1,3,6-trien-1-yl]propan-1-imine is CC(C)/C=N/C1=CC(C(C)C)=C[C@@H](C)C=C1.
What is the InChIKey of 2-methyl-N-[(5S)-5-methyl-3-propan-2-ylcyclohepta-1,3,6-trien-1-yl]propan-1-imine?
The InChIKey is ZYLWNTVDUYRQPT-RKPNYOAGSA-N. The full InChI is InChI=1S/C15H23N/c1-11(2)10-16-15-7-6-13(5)8-14(9-15)12(3)4/h6-13H,1-5H3/b16-10+/t13-/m0/s1.
What are the key properties of 2-methyl-N-[(5S)-5-methyl-3-propan-2-ylcyclohepta-1,3,6-trien-1-yl]propan-1-imine?
2-methyl-N-[(5S)-5-methyl-3-propan-2-ylcyclohepta-1,3,6-trien-1-yl]propan-1-imine has a molecular weight of 217.36 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5S)-5-methyl-3-propan-2-ylcyclohepta-1,3,6-trien-1-yl]propan-1-imine is sourced from PubChem (CID 130223757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).