N-[(1E)-2,11-dimethylcycloundecen-1-yl]-2-methylprop-2-en-1-imine

C17H29N — CID 129234834

IUPACN-[(1E)-2,11-dimethylcycloundecen-1-yl]-2-methylprop-2-en-1-imine
SMILESC=C(C)/C=N/C1=C(\C)CCCCCCCCC1C
InChIInChI=1S/C17H29N/c1-14(2)13-18-17-15(3)11-9-7-5-6-8-10-12-16(17)4/h13,15H,1,5-12H2,2-4H3/b17-16+,18-13+
InChIKeyRDMXJTNOZBZGIX-BSEKWEKLSA-N
MW247.43 g/mol
LogP5.68
Rot. Bonds2

About N-[(1E)-2,11-dimethylcycloundecen-1-yl]-2-methylprop-2-en-1-imine

N-[(1E)-2,11-dimethylcycloundecen-1-yl]-2-methylprop-2-en-1-imine (PubChem CID 129234834) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-[(1E)-2,11-dimethylcycloundecen-1-yl]-2-methylprop-2-en-1-imine.

Molecular Properties

Compound NameN-[(1E)-2,11-dimethylcycloundecen-1-yl]-2-methylprop-2-en-1-imine
PubChem CID129234834
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-[(1E)-2,11-dimethylcycloundecen-1-yl]-2-methylprop-2-en-1-imine
SMILESC=C(C)/C=N/C1=C(\C)CCCCCCCCC1C
InChIInChI=1S/C17H29N/c1-14(2)13-18-17-15(3)11-9-7-5-6-8-10-12-16(17)4/h13,15H,1,5-12H2,2-4H3/b17-16+,18-13+
InChIKeyRDMXJTNOZBZGIX-BSEKWEKLSA-N
XLogP5.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.43
LogP ≤ 55.68
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-[(1E)-2,11-dimethylcycloundecen-1-yl]-2-methylprop-2-en-1-imine?
The IUPAC name of N-[(1E)-2,11-dimethylcycloundecen-1-yl]-2-methylprop-2-en-1-imine (CID 129234834) is N-[(1E)-2,11-dimethylcycloundecen-1-yl]-2-methylprop-2-en-1-imine.
What is the SMILES notation for N-[(1E)-2,11-dimethylcycloundecen-1-yl]-2-methylprop-2-en-1-imine?
The canonical SMILES for N-[(1E)-2,11-dimethylcycloundecen-1-yl]-2-methylprop-2-en-1-imine is C=C(C)/C=N/C1=C(\C)CCCCCCCCC1C.
What is the InChIKey of N-[(1E)-2,11-dimethylcycloundecen-1-yl]-2-methylprop-2-en-1-imine?
The InChIKey is RDMXJTNOZBZGIX-BSEKWEKLSA-N. The full InChI is InChI=1S/C17H29N/c1-14(2)13-18-17-15(3)11-9-7-5-6-8-10-12-16(17)4/h13,15H,1,5-12H2,2-4H3/b17-16+,18-13+.
What are the key properties of N-[(1E)-2,11-dimethylcycloundecen-1-yl]-2-methylprop-2-en-1-imine?
N-[(1E)-2,11-dimethylcycloundecen-1-yl]-2-methylprop-2-en-1-imine has a molecular weight of 247.43 g/mol, XLogP of 5.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-2,11-dimethylcycloundecen-1-yl]-2-methylprop-2-en-1-imine is sourced from PubChem (CID 129234834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).