2-methyl-2-(6-tricyclo[5.4.0.02,11]undeca-3,5,7-trienyl)propan-1-imine

C15H19N — CID 163655826

IUPAC2-methyl-2-(6-tricyclo[5.4.0.02,11]undeca-3,5,7-trienyl)propan-1-imine
SMILES[H]/N=C/C(C)(C)C1=CC=CC2C3CCC=C1C23
InChIInChI=1S/C15H19N/c1-15(2,9-16)13-8-4-6-11-10-5-3-7-12(13)14(10)11/h4,6-11,14,16H,3,5H2,1-2H3/b16-9+
InChIKeyIQCQQXAFDMKDMA-CXUHLZMHSA-N
MW213.32 g/mol
LogP3.74
Rot. Bonds2

About 2-methyl-2-(6-tricyclo[5.4.0.02,11]undeca-3,5,7-trienyl)propan-1-imine

2-methyl-2-(6-tricyclo[5.4.0.02,11]undeca-3,5,7-trienyl)propan-1-imine (PubChem CID 163655826) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-methyl-2-(6-tricyclo[5.4.0.02,11]undeca-3,5,7-trienyl)propan-1-imine.

Molecular Properties

Compound Name2-methyl-2-(6-tricyclo[5.4.0.02,11]undeca-3,5,7-trienyl)propan-1-imine
PubChem CID163655826
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name2-methyl-2-(6-tricyclo[5.4.0.02,11]undeca-3,5,7-trienyl)propan-1-imine
SMILES[H]/N=C/C(C)(C)C1=CC=CC2C3CCC=C1C23
InChIInChI=1S/C15H19N/c1-15(2,9-16)13-8-4-6-11-10-5-3-7-12(13)14(10)11/h4,6-11,14,16H,3,5H2,1-2H3/b16-9+
InChIKeyIQCQQXAFDMKDMA-CXUHLZMHSA-N
XLogP3.74
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methyl-2-(6-tricyclo[5.4.0.02,11]undeca-3,5,7-trienyl)propan-1-imine with MolForge

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Related Compounds

3-[(5-fluoro-1a,4,5,6,7,7b-hexahydro-1H-cyclopropa[a]naphthalen-2-yl)methyl]-2-methylpentan-1-imine
CID 90961976
2,6,6,9-Tetramethylundeca-7,9-dien-1-imine
CID 91253847
[4-[2-(2-Ethylbutyl)-1-methylcyclopropyl]cyclohexa-1,3-dien-1-yl]methanimine
CID 91300856
(3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5,7-trien-1-imine
CID 91439449
2-(Cyclopropen-1-yl)-2-(4-methylcyclohexa-1,3-dien-1-yl)ethanimine
CID 123455138
[2-[(Z)-but-1-enyl]-3,6-dimethylcyclohexen-1-yl]methanimine
CID 130306461
2-[2-[(3Z)-2-methylhexa-3,5-dien-3-yl]cycloprop-2-en-1-yl]ethanimine
CID 138478268
(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dien-1-imine
CID 141777487
(2Z,3Z,5Z)-2-(2-methylspiro[2.5]octa-4,6-dien-8-ylidene)hepta-3,5-dien-1-imine
CID 143269261
Ethane;(2-ethenyl-1,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine
CID 143601110
[5-[(1E)-2-(2-tert-butyl-5-methylcyclohexa-1,3-dien-1-yl)-3-methylbuta-1,3-dienyl]-1-ethenyl-2,4-dimethylcyclohepta-3,5-dien-1-yl]methanimine
CID 146221058
(2S)-2-(7-methyl-3-bicyclo[4.1.0]hept-4-enyl)propan-1-imine
CID 164171299

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(6-tricyclo[5.4.0.02,11]undeca-3,5,7-trienyl)propan-1-imine?
The IUPAC name of 2-methyl-2-(6-tricyclo[5.4.0.02,11]undeca-3,5,7-trienyl)propan-1-imine (CID 163655826) is 2-methyl-2-(6-tricyclo[5.4.0.02,11]undeca-3,5,7-trienyl)propan-1-imine.
What is the SMILES notation for 2-methyl-2-(6-tricyclo[5.4.0.02,11]undeca-3,5,7-trienyl)propan-1-imine?
The canonical SMILES for 2-methyl-2-(6-tricyclo[5.4.0.02,11]undeca-3,5,7-trienyl)propan-1-imine is [H]/N=C/C(C)(C)C1=CC=CC2C3CCC=C1C23.
What is the InChIKey of 2-methyl-2-(6-tricyclo[5.4.0.02,11]undeca-3,5,7-trienyl)propan-1-imine?
The InChIKey is IQCQQXAFDMKDMA-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H19N/c1-15(2,9-16)13-8-4-6-11-10-5-3-7-12(13)14(10)11/h4,6-11,14,16H,3,5H2,1-2H3/b16-9+.
What are the key properties of 2-methyl-2-(6-tricyclo[5.4.0.02,11]undeca-3,5,7-trienyl)propan-1-imine?
2-methyl-2-(6-tricyclo[5.4.0.02,11]undeca-3,5,7-trienyl)propan-1-imine has a molecular weight of 213.32 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(6-tricyclo[5.4.0.02,11]undeca-3,5,7-trienyl)propan-1-imine is sourced from PubChem (CID 163655826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).