N-methyl-1-(5-methyl-5-propan-2-ylcyclohepta-1,3,6-trien-1-yl)ethanimine

C14H21N — CID 91073954

IUPACN-methyl-1-(5-methyl-5-propan-2-ylcyclohepta-1,3,6-trien-1-yl)ethanimine
SMILESC/N=C(\C)C1=CC=CC(C)(C(C)C)C=C1
InChIInChI=1S/C14H21N/c1-11(2)14(4)9-6-7-13(8-10-14)12(3)15-5/h6-11H,1-5H3/b15-12+
InChIKeyPOQUGWYBROCTJN-NTCAYCPXSA-N
MW203.33 g/mol
LogP3.79
Rot. Bonds2

About N-methyl-1-(5-methyl-5-propan-2-ylcyclohepta-1,3,6-trien-1-yl)ethanimine

N-methyl-1-(5-methyl-5-propan-2-ylcyclohepta-1,3,6-trien-1-yl)ethanimine (PubChem CID 91073954) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-methyl-1-(5-methyl-5-propan-2-ylcyclohepta-1,3,6-trien-1-yl)ethanimine.

Molecular Properties

Compound NameN-methyl-1-(5-methyl-5-propan-2-ylcyclohepta-1,3,6-trien-1-yl)ethanimine
PubChem CID91073954
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-methyl-1-(5-methyl-5-propan-2-ylcyclohepta-1,3,6-trien-1-yl)ethanimine
SMILESC/N=C(\C)C1=CC=CC(C)(C(C)C)C=C1
InChIInChI=1S/C14H21N/c1-11(2)14(4)9-6-7-13(8-10-14)12(3)15-5/h6-11H,1-5H3/b15-12+
InChIKeyPOQUGWYBROCTJN-NTCAYCPXSA-N
XLogP3.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.79
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 N-methyl-1-(5-methyl-5-propan-2-ylcyclohepta-1,3,6-trien-1-yl)ethanimine?
The IUPAC name of N-methyl-1-(5-methyl-5-propan-2-ylcyclohepta-1,3,6-trien-1-yl)ethanimine (CID 91073954) is N-methyl-1-(5-methyl-5-propan-2-ylcyclohepta-1,3,6-trien-1-yl)ethanimine.
What is the SMILES notation for N-methyl-1-(5-methyl-5-propan-2-ylcyclohepta-1,3,6-trien-1-yl)ethanimine?
The canonical SMILES for N-methyl-1-(5-methyl-5-propan-2-ylcyclohepta-1,3,6-trien-1-yl)ethanimine is C/N=C(\C)C1=CC=CC(C)(C(C)C)C=C1.
What is the InChIKey of N-methyl-1-(5-methyl-5-propan-2-ylcyclohepta-1,3,6-trien-1-yl)ethanimine?
The InChIKey is POQUGWYBROCTJN-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H21N/c1-11(2)14(4)9-6-7-13(8-10-14)12(3)15-5/h6-11H,1-5H3/b15-12+.
What are the key properties of N-methyl-1-(5-methyl-5-propan-2-ylcyclohepta-1,3,6-trien-1-yl)ethanimine?
N-methyl-1-(5-methyl-5-propan-2-ylcyclohepta-1,3,6-trien-1-yl)ethanimine has a molecular weight of 203.33 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyl-5-propan-2-ylcyclohepta-1,3,6-trien-1-yl)ethanimine is sourced from PubChem (CID 91073954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).