1-(4-methylcyclohepta-1,3,5-trien-1-yl)-N-propylpentan-2-imine

C16H25N — CID 143582682

IUPAC1-(4-methylcyclohepta-1,3,5-trien-1-yl)-N-propylpentan-2-imine
SMILESCCC/N=C(\CCC)CC1=CC=C(C)C=CC1
InChIInChI=1S/C16H25N/c1-4-7-16(17-12-5-2)13-15-9-6-8-14(3)10-11-15/h6,8,10-11H,4-5,7,9,12-13H2,1-3H3/b17-16+
InChIKeySJOGNFWOLVBYRT-WUKNDPDISA-N
MW231.38 g/mol
LogP4.86
Rot. Bonds6

About 1-(4-methylcyclohepta-1,3,5-trien-1-yl)-N-propylpentan-2-imine

1-(4-methylcyclohepta-1,3,5-trien-1-yl)-N-propylpentan-2-imine (PubChem CID 143582682) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-(4-methylcyclohepta-1,3,5-trien-1-yl)-N-propylpentan-2-imine.

Molecular Properties

Compound Name1-(4-methylcyclohepta-1,3,5-trien-1-yl)-N-propylpentan-2-imine
PubChem CID143582682
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-(4-methylcyclohepta-1,3,5-trien-1-yl)-N-propylpentan-2-imine
SMILESCCC/N=C(\CCC)CC1=CC=C(C)C=CC1
InChIInChI=1S/C16H25N/c1-4-7-16(17-12-5-2)13-15-9-6-8-14(3)10-11-15/h6,8,10-11H,4-5,7,9,12-13H2,1-3H3/b17-16+
InChIKeySJOGNFWOLVBYRT-WUKNDPDISA-N
XLogP4.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohepta-1,3,5-trien-1-yl)-N-propylpentan-2-imine?
The IUPAC name of 1-(4-methylcyclohepta-1,3,5-trien-1-yl)-N-propylpentan-2-imine (CID 143582682) is 1-(4-methylcyclohepta-1,3,5-trien-1-yl)-N-propylpentan-2-imine.
What is the SMILES notation for 1-(4-methylcyclohepta-1,3,5-trien-1-yl)-N-propylpentan-2-imine?
The canonical SMILES for 1-(4-methylcyclohepta-1,3,5-trien-1-yl)-N-propylpentan-2-imine is CCC/N=C(\CCC)CC1=CC=C(C)C=CC1.
What is the InChIKey of 1-(4-methylcyclohepta-1,3,5-trien-1-yl)-N-propylpentan-2-imine?
The InChIKey is SJOGNFWOLVBYRT-WUKNDPDISA-N. The full InChI is InChI=1S/C16H25N/c1-4-7-16(17-12-5-2)13-15-9-6-8-14(3)10-11-15/h6,8,10-11H,4-5,7,9,12-13H2,1-3H3/b17-16+.
What are the key properties of 1-(4-methylcyclohepta-1,3,5-trien-1-yl)-N-propylpentan-2-imine?
1-(4-methylcyclohepta-1,3,5-trien-1-yl)-N-propylpentan-2-imine has a molecular weight of 231.38 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohepta-1,3,5-trien-1-yl)-N-propylpentan-2-imine is sourced from PubChem (CID 143582682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).